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,formula,tcad_final,mp_eah,sgn,lamb_final,E_form,is_metal,structure
8791,Mo4Tc2,38.52977159779555,0.021892821666666507,63,2.3302627425590554,-0.0247923135757446,True,"Atoms(symbols='Tc2Mo4', pbc=True, cell=[[4.384514919971897, -8.864370810671614e-09, -0.0035944624740586913], [0.0, 4.401057276364868, -1.6665017124062634e-06], [-2.1884089712375685, -1.728552308080965e-06, 4.6538991067551185]], calculator=SinglePointDFTCalculator(...))"
872,GaNb6Si,36.42407160670125,0.09236780177083403,200,2.4090108219463238,-0.2342218160629272,True,"Atoms(symbols='Nb6GaSi', pbc=True, cell=[[5.094592759145437, -3.37114976040493e-05, -7.609772193399873e-06], [2.1666138085963906e-05, 5.094563633155942, -1.6424080338608284e-05], [-7.60460251120327e-06, -1.642925002080489e-05, 5.094639606805503]], calculator=SinglePointDFTCalculator(...))"
7807,Re2Ru2,31.75461245649948,0.1397944250000016,123,2.6395787937243806,-0.0669469833374023,True,"Atoms(symbols='Re2Ru2', pbc=True, cell=[[3.8254460733885214, 3.4331404116776474e-05, -3.86266923006036e-09], [-3.352796891692392e-05, 3.825395823924507, 0.0], [-3.86266923006036e-09, 0.0, 3.8194337630665554]], calculator=SinglePointDFTCalculator(...))"
101256,Nb5Si2V,29.341672008758128,0.12148622847222335,1,1.703266511762226,-0.3193202018737793,True,"Atoms(symbols='Nb5VSi2', pbc=True, cell=[[4.985323031149998, 0.0002820717030194517, -0.0029303906144833216], [-0.00012135297814676831, 5.02173121920997, 0.0006107452442632035], [0.0030568259656574676, -0.0006438511176761903, 5.021830712952046]], calculator=SinglePointDFTCalculator(...))"
56153,HNNb6Sn2,28.157369833082686,0.19562781199999968,225,2.587249026625187,-0.5211528539657593,True,"Atoms(symbols='Nb6Sn2HN', pbc=True, cell=[[5.996743495171115, 7.526351865032588e-06, 0.00011485893843785193], [2.9984856642101514, 5.193395378955174, -6.0624217122863465e-05], [2.9983730972221605, 1.7312186479772325, 4.89645619436914]], calculator=SinglePointDFTCalculator(...))"
5378,GaNb6Zn,28.148405079189924,0.10776255437500026,200,6.720965789795601,-0.1334447860717773,True,"Atoms(symbols='Nb6ZnGa', pbc=True, cell=[[5.112620744857384, -1.3002339786358665e-05, 2.283071648463697e-05], [4.032647373611759e-05, 5.112598147902503, -3.7921326584266185e-06], [2.2835911186908787e-05, -3.7921326584266185e-06, 5.112640573035956]], calculator=SinglePointDFTCalculator(...))"
71842,Be4RhZr,28.03058672460976,0.010323711340578967,160,1.4099372813297453,-0.5475223064422607,True,"Atoms(symbols='ZrBe4Rh', pbc=True, cell=[[4.514405659353548, -0.00497852835539528, -0.0035873765869507543], [2.2615700528759297, 3.9070704532849496, -0.0035510525250569656], [2.2616219802611304, 1.3023687949176619, 3.6835797989384798]], calculator=SinglePointDFTCalculator(...))"
8941,GeNb6Zn,24.63175793400649,0.109036578125,200,2.3330650489490474,-0.1828293800354004,True,"Atoms(symbols='Nb6ZnGe', pbc=True, cell=[[5.102596133320505, 0.005681944261886991, 0.004560885742810434], [0.005652096355186083, 5.108317947451854, -0.0011359746873704894], [0.004542819221644401, -0.0010069503506317408, 5.111318822048717]], calculator=SinglePointDFTCalculator(...))"
1281,NbReRu2,24.527555928703716,0.15543247125000548,123,2.1445181868259153,-0.0816725492477417,True,"Atoms(symbols='NbReRu2', pbc=True, cell=[[3.811052991165173, 8.98686564162317e-05, -4.71937684286372e-05], [-0.00013322985901005965, 3.92032550042034, 0.00016960453314043247], [7.024314323798306e-05, -0.00020070460962289877, 3.9203683372477296]], calculator=SinglePointDFTCalculator(...))"
11718,GaIrNb6,23.94281920365836,0.021649850937500048,200,1.4201857519597032,-0.3156591653823852,True,"Atoms(symbols='Nb6GaIr', pbc=True, cell=[[5.114241382668777, -1.4172283197045407e-05, 2.3549627858148238e-05], [2.8686691738276983e-05, 5.114258608161485, 2.2429944913538946e-05], [-3.0661688043351714e-05, -2.9889314160264746e-05, 5.114280213895342]], calculator=SinglePointDFTCalculator(...))"
109590,CrOsTcV,23.921402613007217,0.1777368531250012,47,1.7106765103703758,-0.1727055311203003,True,"Atoms(symbols='VCrTcOs', pbc=True, cell=[[4.1941933732270025, -0.00024348816694784044, -5.5172697818071115e-06], [0.00025172808022136053, 4.199350822171113, 4.62087222784812e-05], [4.916001701211094e-06, -3.4551743222982366e-05, 2.9593894872389046]], calculator=SinglePointDFTCalculator(...))"
105655,GaNb5SbTi,23.175942375484073,0.0995181760312498,25,1.9635050248334962,-0.2663555145263672,True,"Atoms(symbols='TiNb5GaSb', pbc=True, cell=[[5.165379304834726, 6.402498923889221e-05, 5.979815769178665e-05], [-2.4079338627879797e-05, 5.195091576558656, -8.233428430679995e-05], [-9.530772766920313e-05, -4.744723036169232e-06, 5.145522628465904]], calculator=SinglePointDFTCalculator(...))"
718,ReRuTc2,22.868881316724323,0.11588082333333105,123,1.314868940449301,-0.057835578918457,True,"Atoms(symbols='ReTc2Ru', pbc=True, cell=[[3.82597704636813, -1.5175265263028068e-05, -9.390347488963129e-07], [1.4862253680062633e-05, 3.825974086283284, -6.248252203664396e-05], [8.656122788180003e-07, 6.15782663525216e-05, 3.832283897431598]], calculator=SinglePointDFTCalculator(...))"
6833,HfNbTc4,21.755032139997983,0.11422807999999485,216,1.5616141123111007,-0.2520695924758911,True,"Atoms(symbols='HfNbTc4', pbc=True, cell=[[5.141804534591261, 0.0003894247635238897, 0.0002999092874372821], [2.570736026493244, 4.4535772105156175, -0.000491880922816291], [2.5707083958246906, 1.4849566396148735, 4.198638743771298]], calculator=SinglePointDFTCalculator(...))"
24170,ReRuTc,21.707921098033243,0.15392449722222423,107,1.4089385390950784,-0.0849802494049072,True,"Atoms(symbols='ReTcRu', pbc=True, cell=[[2.706713625578678, -0.0009639237987941478, 0.0009662835886395938], [0.00048612215173705566, 2.7067094939051075, 0.0009812806382917358], [-1.3550501035364013, -1.354337713738261, 5.745193123991045]], calculator=SinglePointDFTCalculator(...))"
39325,OsRuTc4,21.485755956752193,0.1213222266666687,38,1.3174006589010716,-0.0318801403045654,True,"Atoms(symbols='Tc4OsRu', pbc=True, cell=[[3.815960873920421, 1.0019469010902049e-07, 0.0007514871513111445], [1.0019469010902049e-07, 3.817314793206939, -4.508761054905922e-07], [-1.9084703254097517, -7.476065338903836e-07, 5.740466920166942]], calculator=SinglePointDFTCalculator(...))"
26715,MoTc5,21.188036795639125,0.0749953550000022,38,1.5316704161448131,-0.0357536077499389,True,"Atoms(symbols='Tc5Mo', pbc=True, cell=[[4.395882796138473, 4.299374012009407e-05, -4.013251047987765e-05], [-5.324721785554454e-05, 4.740292258925992, -0.003420976512462966], [6.925858805582682e-05, -2.3666894385152326, 4.106696810491463]], calculator=SinglePointDFTCalculator(...))"
20657,Mo2NbTc3,21.121193853821246,-0.008513679999998303,164,1.4177996433508573,-0.1126832962036132,True,"Atoms(symbols='NbTc3Mo2', pbc=True, cell=[[4.396241035723321, -5.263628903184182e-05, -6.728556967493025e-05], [-2.1980748380959976, 3.8072829755761544, 6.39725171044225e-05], [8.295049829478745e-05, -4.2408846960100386e-05, 5.39408535099036]], calculator=SinglePointDFTCalculator(...))"
6854,HfNbTc4,20.98561961579265,0.11427780999999548,146,1.5437635011883533,-0.252129316329956,True,"Atoms(symbols='HfNbTc4', pbc=True, cell=[[5.142293147638724, 0.0008558285200519054, 0.0006954696542955998], [2.5707871468069534, 4.453821694364127, 0.00026339332921021156], [2.570707740625564, 1.4849488321660211, 4.198831683490669]], calculator=SinglePointDFTCalculator(...))"
3853,HfNb3,20.907598394538105,0.08460727499999976,123,2.1108908824962542,-0.0239815711975097,True,"Atoms(symbols='HfNb3', pbc=True, cell=[[3.3205070447059533, 1.6371577959676706e-06, 2.8972937758515e-06], [-3.610578292766875e-06, 4.701939318822139, 7.33494244894644e-05], [-6.630149414375297e-06, -8.017997288716355e-05, 4.70211189631271]], calculator=SinglePointDFTCalculator(...))"
8631,Nb3Ti,20.865913333815627,0.05410928999999953,123,1.5513716830808322,-0.0020629167556762,True,"Atoms(symbols='TiNb3', pbc=True, cell=[[3.249582496930557, -1.5208987166447065e-07, 1.5328014022532304e-05], [-2.1160329970708962e-07, 4.602156048984052, -9.25764436218517e-08], [-4.725696816739737e-05, -9.25764436218517e-08, 4.602169260965078]], calculator=SinglePointDFTCalculator(...))"
105412,Mo4Tc2,20.637287630054765,0.13197757499999874,1,1.3048679574804403,-0.0094454288482666,True,"Atoms(symbols='Tc2Mo4', pbc=True, cell=[[3.09434022533474, -0.09556098118176264, -0.16217397667222427], [0.15279324662202196, 4.3639617076685875, 0.35049757462081016], [-2.691114035652526, 1.7373778465502, 6.908704184057442]], calculator=SinglePointDFTCalculator(...))"
8963,CrOs2V,20.53891597584666,0.17915919500000044,38,1.595648390748142,-0.1175005435943603,True,"Atoms(symbols='VCrOs2', pbc=True, cell=[[2.806565653960256, 0.012438820543156535, 0.011689828236217847], [0.01640670696770628, 4.317921143233449, -0.25315045105577705], [0.01701308274898676, -0.268954780271104, 4.3267440520825104]], calculator=SinglePointDFTCalculator(...))"
151100,AlNb6P,20.510874989713425,0.14456902043749942,200,1.31229357112337,-0.3002971410751343,True,"Atoms(symbols='Nb6AlP', pbc=True, cell=[[5.076802091673587, -4.20955771129816e-05, -7.412179741012092e-05], [0.00014057440182853383, 5.076810404687347, -1.7584032823163976e-05], [0.0002447085481726256, 3.880951591169906e-05, 5.076809060389582]], calculator=SinglePointDFTCalculator(...))"
117813,MoTcW,20.506664131838757,0.05831029333333326,42,1.489488940552096,-0.0588936805725097,True,"Atoms(symbols='TcMoW', pbc=True, cell=[[2.703889271787367, 0.002227620490797097, -0.0002463222130926269], [-1.7877525532937906, 2.5409590159326947, 0.0008409484764887588], [1.8086274729280727, 1.2701745022097748, 6.565566835227093]], calculator=SinglePointDFTCalculator(...))"
4633,HfNb2Ta,20.473679474780102,0.09644768749999955,123,1.9573826273561243,-0.007951021194458,True,"Atoms(symbols='HfTaNb2', pbc=True, cell=[[3.3185979921354503, -1.990956748940984e-07, 1.6734160199997185e-05], [-2.7670924307315374e-07, 4.704073275865794, -1.1135859782212283e-07], [-2.641560920459326e-05, -1.1135859782212283e-07, 4.704136156354031]], calculator=SinglePointDFTCalculator(...))"
70179,OsReTc,20.46056325211479,0.14429578638888962,107,1.3596370502597317,-0.0582380294799804,True,"Atoms(symbols='ReTcOs', pbc=True, cell=[[2.7196635686203567, -0.00020404158700467045, 0.0006537157877746475], [0.0009392567128003904, 2.7196585040303822, 0.0006823192106990517], [-1.361259931538814, -1.3607320960252334, 5.776259681776947]], calculator=SinglePointDFTCalculator(...))"
16941,Nb2TaZr,20.40541146449032,0.12135044750000112,47,2.3855770789749635,-0.0201128721237182,True,"Atoms(symbols='ZrTaNb2', pbc=True, cell=[[3.3226716270468013, 6.457306076694251e-05, -2.029593046694291e-05], [-9.018130365651929e-05, 4.761709659637447, -6.086421106667627e-05], [5.225738910102662e-05, 5.448741498801686e-05, 4.677544696334494]], calculator=SinglePointDFTCalculator(...))"
2920,MoTc2W,20.378048002041044,0.09238062750000076,12,2.4565872488705587,-0.024715781211853,True,"Atoms(symbols='Tc2MoW', pbc=True, cell=[[2.696682551287917, -0.005018376065833568, -7.390731746776546e-05], [-0.8262397193949141, 5.062979665985025, -0.004185014113186051], [-0.937178981658285, -2.5248297629807652, 4.344314224274997]], calculator=SinglePointDFTCalculator(...))"
60660,AsMo5NbRe,20.309559468145707,0.08643782171874825,25,1.3188162703209436,-0.0255146026611328,True,"Atoms(symbols='NbReMo5As', pbc=True, cell=[[4.9820095592005496, 4.0181321771806986e-08, 2.338050660597019e-05], [4.0181321771806986e-08, 4.971678052361274, -5.826291656912013e-07], [-3.249162131772742e-05, -5.926744961341531e-07, 4.978016444918837]], calculator=SinglePointDFTCalculator(...))"
63612,CrTi2Zr,20.30502834900016,0.17820555484374978,6,1.4617711025236304,-0.0317234992980957,True,"Atoms(symbols='ZrTi2Cr', pbc=True, cell=[[3.063435914196525, -1.6712957048389755e-05, -5.73557592027158e-05], [1.3367256251353964e-05, 3.063433585265394, -1.9931172963754106e-06], [0.0008119760864642522, -0.0001805185924467564, 7.006065497176376]], calculator=SinglePointDFTCalculator(...))"
7330,OsRuTc2,20.048943661114443,0.13760639041666778,10,1.2217917768442568,-0.0440064668655395,True,"Atoms(symbols='Tc2OsRu', pbc=True, cell=[[2.693980678396466, 1.2843931718704371e-05, -1.6590870969834756e-05], [-2.0530727325265545e-05, 4.668743345159917, 0.004982423861347198], [3.559999859920979e-05, -1.5619992845618955, 4.406722521673556]], calculator=SinglePointDFTCalculator(...))"
1421,AsGeNb5Zr,19.91855426953826,0.17485169791667055,25,1.436689705047938,-0.3752155303955078,True,"Atoms(symbols='ZrNb5GeAs', pbc=True, cell=[[5.146246257254606, 0.000142004907125412, 0.00041858620901233525], [-0.00020152717027785026, 5.133273846113526, -4.3917155841511645e-05], [-0.00040361932600309586, 5.3354505351706646e-05, 5.161391884919091]], calculator=SinglePointDFTCalculator(...))"
17163,Mn3MoN,19.657280235418575,0.1942817652500004,8,1.1131799858803675,-0.1357804536819458,True,"Atoms(symbols='Mn3MoN', pbc=True, cell=[[3.729486962824012, 0.00034042485862060737, -8.579598998983863e-05], [-0.0003032825299429925, 3.729495111973048, -0.0003178168124050265], [7.507243355713979e-05, 0.00028761746824376705, 3.7294899706967835]], calculator=SinglePointDFTCalculator(...))"
63806,Nb2TaZr,19.632564765786633,0.09906012500000116,10,1.8317843829360014,-0.001185655593872,True,"Atoms(symbols='ZrTaNb2', pbc=True, cell=[[2.903889465195291, -8.098050225295794e-07, -0.005227551503793335], [-1.2915503461511904e-06, 4.637821006390224, 3.194887698373997e-06], [-0.9444935730833542, 4.043114127081987e-06, 5.505191075100681]], calculator=SinglePointDFTCalculator(...))"
122437,Be4RhTa,19.41130166419783,0.03523447722222084,216,0.9436443455313877,-0.3564213514328003,True,"Atoms(symbols='TaBe4Rh', pbc=True, cell=[[4.415439341441195, -5.856831776604428e-06, -5.714091017387869e-06], [2.2077007999461644, 3.8238778762837784, 3.7335629832581157e-06], [2.2077348391565885, 1.274641319748587, 3.6052333221707635]], calculator=SinglePointDFTCalculator(...))"
142485,HfTc4Zr,19.361229225556773,0.04706638749999925,82,1.406718003234789,-0.3817223310470581,True,"Atoms(symbols='HfZrTc4', pbc=True, cell=[[5.196704266524326, -0.002386044773382198, 0.0019248592787277775], [2.6038713221357357, 4.501611062495309, -0.0016445168642119617], [2.593800814415074, 1.5045769939547253, 4.244274294541684]], calculator=SinglePointDFTCalculator(...))"
254,HfTc4Zr,19.345166042299017,0.04697717416666514,1,1.4069010861967244,-0.3813095092773437,True,"Atoms(symbols='HfZrTc4', pbc=True, cell=[[5.197865785945928, 0.00037826718689435893, -0.0005708409088292565], [2.597992286796615, 4.501748496847536, -0.0003589174481693912], [2.599895089826046, 1.5008735471935084, 4.2440856231210065]], calculator=SinglePointDFTCalculator(...))"
21606,HfTc4Zr,19.341800534789886,0.04733207916666693,8,1.4068801690263513,-0.3778575658798218,True,"Atoms(symbols='HfZrTc4', pbc=True, cell=[[5.198273517908447, -0.0010097656538632512, -0.0009254432595826614], [2.599601536460278, 4.500870009657136, 8.264937252567571e-05], [2.6003800894586955, 1.4989434427269905, 4.2439852287260695]], calculator=SinglePointDFTCalculator(...))"
5573,HfTc4Zr,19.33119634725892,0.047127180833332005,146,1.4052321255074485,-0.3849188089370727,True,"Atoms(symbols='HfZrTc4', pbc=True, cell=[[5.197705034028871, 0.00012888144625083076, 6.142678008026216e-05], [2.5987318256308076, 4.502184274530642, -0.002087745243277448], [2.5987908727062923, 1.502909471664641, 4.243358125822332]], calculator=SinglePointDFTCalculator(...))"
13944,Mo2NbTc3,19.19668390519317,-0.011938203333333064,65,1.3077066417437258,-0.1476951837539672,True,"Atoms(symbols='NbTc3Mo2', pbc=True, cell=[[3.1093989676588087, -7.245264098652637e-08, -5.040183720801834e-08], [7.245264098652637e-08, 4.382483894096475, -0.0003573269750010715], [1.228544781945447e-07, 2.189660244468262, 6.623846128964914]], calculator=SinglePointDFTCalculator(...))"
168014,MoNb5SiZn,19.13148365899233,0.1265053105208338,25,1.3320937302373455,-0.1854405403137207,True,"Atoms(symbols='Nb5ZnSiMo', pbc=True, cell=[[5.051102811450517, -1.3734181917350522e-05, -3.941024013271053e-05], [1.18599423268396e-05, 5.049734908439216, -5.419420105567508e-05], [3.0423107670014712e-05, 4.830007600464211e-05, 5.056973165408165]], calculator=SinglePointDFTCalculator(...))"
118594,NbTiVZr,19.014403548671787,0.13296562500000064,99,1.4133236187095533,-0.0044529438018798,True,"Atoms(symbols='ZrTiNbV', pbc=True, cell=[[3.193531303325814, 4.9073300700432195e-06, 0.00010259751093009224], [-6.749197358865509e-06, 3.193529574754404, 7.153178092863791e-05], [-7.771449889287441e-05, -0.0002047127051184718, 6.783190851836938]], calculator=SinglePointDFTCalculator(...))"
9894,Mo3N2Tc,18.96656027839773,0.12337037750000057,6,1.030515569328028,-0.2868863344192505,True,"Atoms(symbols='TcMo3N2', pbc=True, cell=[[2.8767921261942533, 2.171350868536039e-06, -4.18325674672564e-06], [-3.7513057728780167e-06, 4.827684471285905, 0.0015266393985699533], [-2.841019827991079e-06, 0.02921382712225526, 5.091044632160822]], calculator=SinglePointDFTCalculator(...))"
28562,NbTa2Zr,18.85788723884388,0.15222085500000127,99,2.400538137964137,-0.0070331096649169,True,"Atoms(symbols='ZrTa2Nb', pbc=True, cell=[[3.330701570628239, 2.8122974202669165e-07, 3.934844571272253e-05], [4.1337383767778777e-07, 4.718955069817055, 4.3370369854718714e-07], [-5.5625887648821644e-05, 4.3370369854718714e-07, 4.718942499186417]], calculator=SinglePointDFTCalculator(...))"
11416,IrTc2,18.775506364479725,0.12627316833333424,139,1.178874551194926,-0.2111811637878418,True,"Atoms(symbols='Tc2Ir', pbc=True, cell=[[2.700168429720398, 0.002460241298460429, 0.000828567145012056], [-0.0013607648987770074, 2.700169900617343, 0.0008045397710167], [-1.3511937587323104, -1.3530580552377116, 5.765719741159958]], calculator=SinglePointDFTCalculator(...))"
27,Re4TaZr,18.68726975712032,0.10845047613094572,1,1.8242305817581985,-0.2587839365005493,True,"Atoms(symbols='ZrTaRe4', pbc=True, cell=[[5.204595670332422, -0.0004531054225791983, -8.990841826710989e-05], [2.6027171546376104, 4.5071568709420715, 0.005380062567623132], [2.6025373903575844, 1.4973136175477169, 4.251358297162351]], calculator=SinglePointDFTCalculator(...))"
149313,Mo5NbOsRu,18.546723298185977,0.003758013541666827,25,1.2501624960518667,-0.0447626113891601,True,"Atoms(symbols='NbMo5OsRu', pbc=True, cell=[[4.969948897006355, 3.4931444031894655e-06, 4.120505107785275e-06], [-4.105448450874976e-06, 4.962228957535364, -3.386744027690016e-05], [-9.495731624762169e-06, 3.8434626206357654e-05, 4.96498653405963]], calculator=SinglePointDFTCalculator(...))"
84009,Re4TaZr,18.53151535206829,0.10846000446427873,82,1.800538675865642,-0.2591347694396972,True,"Atoms(symbols='ZrTaRe4', pbc=True, cell=[[5.20461480736026, 0.0050245713483070085, -0.006509500290261914], [2.597864924519057, 4.509927032587691, -0.006767704075804471], [2.6063027655859305, 1.5083673228822532, 4.245156412456286]], calculator=SinglePointDFTCalculator(...))"
146872,ReTc3Zr2,18.45470326459745,0.043219172708331755,166,1.3552993973151928,-0.3911447525024414,True,"Atoms(symbols='Zr2ReTc3', pbc=True, cell=[[5.259020063511674, -9.361640045072876e-05, -5.6220079718041556e-05], [2.629600184841176, 4.554395670102723, 8.334938142436145e-05], [2.6295750223603975, 1.5179936638547826, 4.207940190448939]], calculator=SinglePointDFTCalculator(...))"
17261,NbOsTc2,18.44768931905174,0.18453320625000025,123,1.5256710363928387,-0.0673397779464721,True,"Atoms(symbols='NbTc2Os', pbc=True, cell=[[3.926063024427411, -3.877011605188813e-07, -7.674084826765485e-07], [-3.7970732215766727e-07, 3.891328209971021, -1.175094239098465e-06], [-7.554177251347275e-07, -1.175094239098465e-06, 3.8912986567505996]], calculator=SinglePointDFTCalculator(...))"
1588,Re2Ru,18.441645594612357,0.1733160516666672,139,1.3007129735323033,-0.0703538656234741,True,"Atoms(symbols='Re2Ru', pbc=True, cell=[[2.7181031792013965, 0.0007360369261614877, 0.0008958379805155561], [0.00020183193259480745, 2.7181008920299967, 0.0009834809658987541], [-1.360395751477413, -1.3608732477523586, 5.771679838885932]], calculator=SinglePointDFTCalculator(...))"
6832,Hf2Mo2,18.43417531712453,0.13356973874999944,221,1.6718923979678018,-0.1053663492202758,True,"Atoms(symbols='Hf2Mo2', pbc=True, cell=[[3.2883519293908323, 8.961752725815457e-08, 4.97875151434192e-08], [6.970252120078688e-08, 3.2823417066910907, -3.282342148140392], [1.7259671916385324e-07, 3.2823420153736844, 3.2823424535038175]], calculator=SinglePointDFTCalculator(...))"
128044,CrRuTcW,18.402331377889045,0.1939860661111119,47,1.4610602391531216,-0.0824532508850097,True,"Atoms(symbols='CrTcRuW', pbc=True, cell=[[4.408096552760416, 0.19112055287503782, -0.0007717160776106529], [0.20408946868217176, 4.358291617897716, 0.0010055734976477297], [-0.0013827462811321681, 0.0006792232988348219, 2.86977089080983]], calculator=SinglePointDFTCalculator(...))"
538,Nb2Tc4,18.39758514426156,0.025131950000000458,227,1.3838626759173724,-0.0897241830825805,True,"Atoms(symbols='Nb2Tc4', pbc=True, cell=[[5.100704516575578, 2.5268892263423217e-05, 2.694318176099968e-06], [2.550337264381381, 4.4173488631458175, -1.2363983982103104e-05], [2.5503473925449263, 1.4724664635423415, 4.164702096545304]], calculator=SinglePointDFTCalculator(...))"
38850,As2Mo5Tc,18.3800960282366,0.1445744087499996,5,1.4750001796312495,-0.0572092533111572,True,"Atoms(symbols='TcMo5As2', pbc=True, cell=[[4.903644711504329, -0.000250278328684024, 0.0003684905699208757], [0.0004789656060345597, 4.908039859036786, -0.011045789173196156], [-0.0005947470012173893, 0.010772536384855215, 4.907984858674442]], calculator=SinglePointDFTCalculator(...))"
82587,AlNb6Rh,18.360328891792392,0.04944011749999966,200,1.281002480008891,-0.293788194656372,True,"Atoms(symbols='Nb6AlRh', pbc=True, cell=[[5.122020552572401, -2.0144343436067395e-05, 1.887135810157255e-05], [9.924089750551643e-06, 5.122021919083188, -1.921948062161808e-05], [-3.127387236050803e-05, 3.589818643275461e-05, 5.122035345181573]], calculator=SinglePointDFTCalculator(...))"
1381,Re2Ru,18.266620580697893,0.1907761516666664,164,1.2985452283953038,-0.0819122791290283,True,"Atoms(symbols='Re2Ru', pbc=True, cell=[[2.7187153429315356, -1.4731490758531644e-05, -6.895942149182102e-07], [-1.359342957833027, 2.354487129917971, 2.502869839802747e-06], [-1.6978853578464297e-06, 6.137663251503114e-06, 6.674189356722564]], calculator=SinglePointDFTCalculator(...))"
484,HfTc4Ti,18.15006475296347,0.13033304374999766,1,1.285126985180674,-0.4079116582870483,True,"Atoms(symbols='HfTiTc4', pbc=True, cell=[[5.129911543319335, -0.008767464441712355, 0.014119748050534736], [2.5727766429798455, 4.438163767157243, -0.02543636713560632], [2.5559189600465713, 1.5070455897476518, 4.184700611630423]], calculator=SinglePointDFTCalculator(...))"
73338,MnNb2Ru,18.12788836102802,0.10681376522727248,225,1.299954732426067,-0.1165241003036499,True,"Atoms(symbols='MnNb2Ru', pbc=True, cell=[[4.3667263646642, -1.975764678064908e-05, 6.141906770781841e-05], [2.1834507376911203, 3.781625895329795, 6.714502402006028e-05], [2.1831939679330596, 1.2603911225936442, 3.5654442644131428]], calculator=SinglePointDFTCalculator(...))"
26455,RhRuTc2,18.077442424450954,0.16959906000000124,10,1.1050913390337092,-0.1216546297073364,True,"Atoms(symbols='Tc2RuRh', pbc=True, cell=[[2.6808913377145354, -2.346211203758139e-05, 5.348864076417495e-05], [4.4055671312789663e-05, 4.664236335212582, -0.02422995953600791], [-0.00011938965262359491, -3.096680966292103, 4.400051815440657]], calculator=SinglePointDFTCalculator(...))"
32070,ReTc2V,18.006578618466346,0.18538006250000016,10,1.2430609966729804,-0.1254191398620605,True,"Atoms(symbols='VReTc2', pbc=True, cell=[[2.6805844212036076, 9.251315614761651e-06, -0.003887854566851403], [-1.6311530162869226e-05, 4.191178761163107, -0.00010184291859069047], [-1.0167793760707948, 0.00011732940452475786, 4.956426884263642]], calculator=SinglePointDFTCalculator(...))"
104180,ReTc2V,18.004635512804857,0.18634021249999932,6,1.2496654259281925,-0.1265127658843994,True,"Atoms(symbols='VReTc2', pbc=True, cell=[[2.6820227011954008, -2.955327102693169e-06, -0.0003992370868701407], [-4.603490294579744e-06, 4.210708394465378, 1.5748212830193724e-05], [-1.0423636037766872, 1.97157124021243e-05, 4.94079135185342]], calculator=SinglePointDFTCalculator(...))"
194903,HfTc4Y,17.973882588714716,0.084826156250001,216,1.669594507635859,-0.2926385402679443,True,"Atoms(symbols='YHfTc4', pbc=True, cell=[[5.260037878908596, 9.126925260709122e-05, -0.00027634670345045307], [2.624325653986361, 4.56038951287373, -0.000337392942187187], [2.636050616445548, 1.526960601718729, 4.297004153418246]], calculator=SinglePointDFTCalculator(...))"
25141,CrOs2V,17.953894481562045,0.17918401500000058,25,1.2706729163861146,-0.1175326108932495,True,"Atoms(symbols='VCrOs2', pbc=True, cell=[[2.802326126022914, -0.020902041466302278, 0.02415295693598221], [-0.02604244765412278, 4.314890920674386, 0.26495066243789256], [0.026696443352318775, 0.26433392421790336, 4.320343731618955]], calculator=SinglePointDFTCalculator(...))"
18167,HfTc4Y,17.876624358826483,0.08481256124999881,119,1.6598306822443512,-0.2926869392395019,True,"Atoms(symbols='YHfTc4', pbc=True, cell=[[5.262981504479099, 0.0034101618357739367, -0.004404509377630445], [2.6297223872990485, 4.559552905163337, 0.011030953816260299], [2.6329667481917363, 1.5088955736347704, 4.299331896701081]], calculator=SinglePointDFTCalculator(...))"
62973,IrMoTc,17.840955775051818,0.1413271500000004,42,1.602161456375494,-0.0742003917694091,True,"Atoms(symbols='TcMoIr', pbc=True, cell=[[2.709688400540211, 0.001390949519274735, 0.0009515387291071277], [-0.0009124071010268846, 2.7096894993746963, 0.000888801293531706], [-1.354752612962459, -1.3557802254790137, 5.919383786557566]], calculator=SinglePointDFTCalculator(...))"
1295,Re4TiZr,17.815666365881185,0.14567153013157608,1,1.3661617718470849,-0.3268996477127075,True,"Atoms(symbols='ZrTiRe4', pbc=True, cell=[[5.198957564173535, 0.006246160186140044, 0.005359382183314173], [2.5938877657399835, 4.505813051726739, 0.010955788910907604], [2.593185593846048, 1.496175617010042, 4.250521971262231]], calculator=SinglePointDFTCalculator(...))"
23082,HHfTi3,17.787398594528995,0.19103908000000036,47,1.3933261826311323,-0.212855577468872,True,"Atoms(symbols='HfTi3H', pbc=True, cell=[[4.1115620058787306, 3.512441595476276e-05, -5.444618832016832e-05], [-3.689233931850201e-05, 4.111808424303323, 2.791061991264942e-05], [5.670729125109723e-05, -2.917282524562638e-05, 4.3457746833886635]], calculator=SinglePointDFTCalculator(...))"
29,Hf2Tc4,17.65885793028033,0.05712757249999889,1,1.2801830845701263,-0.435794472694397,True,"Atoms(symbols='Hf2Tc4', pbc=True, cell=[[5.185511382946929, -0.02166909841719993, -0.01928631337611248], [2.6118420833832245, 4.479720686034868, 0.03948815132411269], [2.6146752914880045, 1.439578232878302, 4.24047358346601]], calculator=SinglePointDFTCalculator(...))"
1633,Hf2Tc4,17.64671092518339,0.05654578749999928,9,1.2800759775963553,-0.4339743852615356,True,"Atoms(symbols='Hf2Tc4', pbc=True, cell=[[5.185412612496909, -0.028609132813109145, 0.028923434294209818], [2.6181206429508044, 4.476429384154021, 0.008039094507040434], [2.577416629573253, 1.4891770163385232, 4.246461966775019]], calculator=SinglePointDFTCalculator(...))"
158579,HfTc4Y,17.630966859957354,0.08490257124999978,8,1.6363436631692592,-0.2924154996871948,True,"Atoms(symbols='YHfTc4', pbc=True, cell=[[5.262633701043687, 0.013680651439537603, -0.0103262745396914], [2.6194976959378646, 4.564935722576005, -0.007839273139412805], [2.635784936459428, 1.529386193895357, 4.291119330520269]], calculator=SinglePointDFTCalculator(...))"
88841,Mo6OsRu,17.626521730812584,-0.029353696458331413,6,1.289917687429583,-0.0341812372207641,True,"Atoms(symbols='Mo6OsRu', pbc=True, cell=[[4.938081510520129, 0.0002287492269730447, 0.0008834353246119107], [-0.00023607406553035349, 4.938083179786059, -0.0024539305401326435], [-0.0008354152775528733, 0.0024525851616221173, 4.938075506145665]], calculator=SinglePointDFTCalculator(...))"
25154,HfTc4Y,17.611977831236977,0.08299160624999935,44,1.6354537134416356,-0.3309378623962402,True,"Atoms(symbols='YHfTc4', pbc=True, cell=[[5.263010969213782, 1.324946245081493e-05, 0.0004173716927276662], [2.6314496853487372, 4.555036680069758, 0.15465114845829322], [2.6314745001585016, 1.371849413010118, 4.346501346727333]], calculator=SinglePointDFTCalculator(...))"
13223,HfScTc4,17.562275684034912,-0.03265975000000054,1,1.2384927169974786,-0.3515012264251709,True,"Atoms(symbols='HfScTc4', pbc=True, cell=[[5.186228402332709, 0.00014137829117143107, 0.0004605244162853746], [2.593240489515588, 4.491667001071621, 0.00011930182905326495], [2.592458046337951, 1.4976431989458499, 4.234810063723549]], calculator=SinglePointDFTCalculator(...))"
112358,CrMnTc2,17.52553830613393,0.1618662575862082,99,1.1110574936221973,-0.0032569169998168,True,"Atoms(symbols='MnCrTc2', pbc=True, cell=[[2.845606639876825, 7.964597875824278e-05, -1.7622044862949983e-05], [-8.113133970602177e-05, 2.8456066601054757, 2.690121607563158e-05], [4.07722910743459e-05, -5.6218311046872574e-05, 6.17926327949509]], calculator=SinglePointDFTCalculator(...))"
37068,Mo5OsRhW,17.45328530712171,0.01843895749999902,1,1.4717045107885887,-0.0517550706863403,True,"Atoms(symbols='Mo5OsRhW', pbc=True, cell=[[4.9628843305286106, 0.0007539945580931881, 0.004523376424109863], [-0.0007197960575504361, 4.92970491425346, 0.0013635731901866861], [-0.00456683441030257, -0.001403570762867161, 4.931455878482815]], calculator=SinglePointDFTCalculator(...))"
16950,HfScTc4,17.420968221025138,-0.03272424000000029,8,1.2311159842647164,-0.3505368232727051,True,"Atoms(symbols='HfScTc4', pbc=True, cell=[[5.186240146180002, -5.328363527406442e-05, 0.00011367454652319802], [2.5932694043899986, 4.491551817842116, 9.284468026342233e-06], [2.592938235684642, 1.497415996900472, 4.234659453330474]], calculator=SinglePointDFTCalculator(...))"
50302,HHfTi2Zr,17.33904754970443,0.19732602900000007,6,1.6199027762852605,-0.2090078592300415,True,"Atoms(symbols='HfZrTi2H', pbc=True, cell=[[4.2742903632390545, 2.441005539620136e-07, -7.105069695680038e-07], [2.441005539620136e-07, 4.27431954197313, 3.4871507708859086e-07], [-7.279427234224334e-07, 3.923044617246647e-07, 4.310713082020019]], calculator=SinglePointDFTCalculator(...))"
9114,HNb2Zr2,17.30420046204295,0.18747779899999983,6,1.3888485452048063,-0.2242761850357055,True,"Atoms(symbols='Zr2Nb2H', pbc=True, cell=[[4.938949032968297, -8.351338108315765e-07, 0.016739329880942507], [3.2278177964656024e-07, 3.413637795088434, -5.584637139916677e-07], [0.011326038630815034, -8.863690139500781e-07, 4.821141384048331]], calculator=SinglePointDFTCalculator(...))"
134098,ReRu2Tc,17.298408627728303,0.16260294416666987,10,1.087021352227398,-0.0732554197311401,True,"Atoms(symbols='ReTcRu2', pbc=True, cell=[[2.6971196168140965, -5.476162090642007e-05, -8.261315382891414e-05], [9.805448338490808e-05, 4.670710383571295, 0.005349042535483156], [0.00010710160598819967, -1.5572099931228862, 4.4012256336397435]], calculator=SinglePointDFTCalculator(...))"
11140,Mo2NOs,17.27507559921143,0.05986022062499963,160,0.9949483995662648,-0.200497031211853,True,"Atoms(symbols='Mo2OsN', pbc=True, cell=[[2.8186882865769323, 0.00016385462471554737, 0.0001576008920340962], [1.4091453312085227, 2.4411763045505643, 0.0001620593083725102], [1.4088610111417086, 0.8135548788492021, 7.136444431861088]], calculator=SinglePointDFTCalculator(...))"
3741,HHfTi2Zr,17.256408765809468,0.1973047070000007,38,1.6105674127203389,-0.2089853286743164,True,"Atoms(symbols='HfZrTi2H', pbc=True, cell=[[4.274091828536823, 1.961495935754202e-07, 1.7871407414649398e-07], [1.961495935754202e-07, 4.274124127836565, -2.615327914338936e-07], [1.9179071371818864e-07, -2.702505511483567e-07, 4.311204530333253]], calculator=SinglePointDFTCalculator(...))"
43226,HHfTi2Zr,17.236298507383612,0.19732829900000048,123,1.610625869750168,-0.2089772224426269,True,"Atoms(symbols='HfZrTi2H', pbc=True, cell=[[4.274114753546454, 6.102233349145863e-08, 2.9975041958625786e-05], [6.102233349145863e-08, 4.274180234869028, 4.794611917186035e-08], [-2.892458607495139e-05, 3.0511166745729317e-08, 4.311148985446776]], calculator=SinglePointDFTCalculator(...))"
2576,HHfTi2Zr,17.230042958121885,0.1973297709999997,25,1.6111821630689107,-0.2089974880218505,True,"Atoms(symbols='HfZrTi2H', pbc=True, cell=[[4.274089454495308, 8.71646537876212e-08, -4.271068035593439e-07], [8.71646537876212e-08, 4.27403444052407, -7.365413245053991e-07], [-4.053156401124386e-07, -6.188690418921105e-07, 4.311248901336634]], calculator=SinglePointDFTCalculator(...))"
4060,HNbTi3,17.18786740872751,0.166196448,38,1.3167208261689691,-0.1809741258621215,True,"Atoms(symbols='Ti3NbH', pbc=True, cell=[[4.594770002602777, -5.366304204188256e-07, 0.006168637291980245], [-4.283628794571327e-07, 3.31736889627008, -6.543125301597961e-07], [-0.2915654575104232, -8.378966213557102e-07, 4.584934659086479]], calculator=SinglePointDFTCalculator(...))"
13413,HZr6,17.174622920341115,0.11294641785714266,148,1.9779277631636012,-0.2019852399826049,True,"Atoms(symbols='Zr6H', pbc=True, cell=[[5.5189959439856935, 0.10571468886899324, -0.032323332482376815], [2.864934837527454, 4.850375254823778, -0.00713779239436177], [2.771099457798475, 1.6853889351292581, 5.132139766937469]], calculator=SinglePointDFTCalculator(...))"
17976,IrTc2V,17.13740479610252,0.18164154599999982,25,1.2385912781852535,-0.1878548860549926,True,"Atoms(symbols='VTc2Ir', pbc=True, cell=[[3.773628536775145, -0.00011283913397057389, 6.031992434814008e-06], [0.00011708712357634538, 3.773648634502947, 3.6417342546600345e-05], [-7.055788490881237e-06, -3.722339093402641e-05, 3.868505505113859]], calculator=SinglePointDFTCalculator(...))"
48640,Re2Tc2Zr2,17.12698616433561,0.05005432958333422,46,1.280907664988802,-0.3909856081008911,True,"Atoms(symbols='Zr2Re2Tc2', pbc=True, cell=[[5.30679483051059, -0.0013082492393596535, -0.0009669166282094806], [2.652432571573291, 4.506228134435001, -0.016952414443756995], [2.6525008337992597, 1.5358730178426572, 4.236431763713169]], calculator=SinglePointDFTCalculator(...))"
182220,Re2Tc2Zr2,17.124477381284784,0.05008499124999943,5,1.2809527022001854,-0.3909732103347778,True,"Atoms(symbols='Zr2Re2Tc2', pbc=True, cell=[[5.306433608233871, -0.0014253579839369952, -0.0010353148290661734], [2.6523373472565854, 4.506461694586245, -0.014035895179403473], [2.652387875927873, 1.5335875445014246, 4.23749828529301]], calculator=SinglePointDFTCalculator(...))"
16746,IrMnMo2,17.099680286966702,0.13903746133620487,6,1.3437783303827504,-0.0431141853332519,True,"Atoms(symbols='MnMo2Ir', pbc=True, cell=[[2.698449644044343, 5.4673682628876124e-05, 0.004179716521987733], [-8.164902938480025e-05, 4.310537075610524, 1.497968462695967e-05], [-0.43776126969269435, -1.470890218612526e-05, 4.784875085014951]], calculator=SinglePointDFTCalculator(...))"
168623,GeIrMo4Nb2,17.081528975775537,0.04802547541666691,6,1.2033124262418233,-0.2520610094070434,True,"Atoms(symbols='Nb2GeMo4Ir', pbc=True, cell=[[4.996355978461565, -0.0058451876704755865, 2.2751662653135407e-05], [-0.009493366656420699, 4.984923465422701, -8.456692767200131e-05], [-3.579311414278312e-06, 8.27241138745511e-05, 4.981055748586447]], calculator=SinglePointDFTCalculator(...))"
251,ReW,17.02901355800613,0.14541894250000098,65,1.4915621891840027,-0.0282889604568481,True,"Atoms(symbols='ReW', pbc=True, cell=[[2.706770305810594, -0.013617695427593163, 0.0006076693439288589], [1.8020773908510037, 2.537158163227145, 0.0005320579561895649], [2.7061125597481497, -0.014042432848011722, 4.395857168174549]], calculator=SinglePointDFTCalculator(...))"
65276,TiV2W,16.999527230893463,0.14501326249999913,12,1.0237306936639523,-0.0102920532226562,True,"Atoms(symbols='TiV2W', pbc=True, cell=[[2.6762164300418685, -0.006686329218557571, -0.0006919657812591771], [-0.8939196058254248, 5.0130952358344345, 0.0054836138739470745], [-0.8883864914322375, -2.509913451166012, 4.285904873150188]], calculator=SinglePointDFTCalculator(...))"
18308,IrTc3,16.985853507227453,0.1752760225000003,123,1.0627754211302507,-0.1889511346817016,True,"Atoms(symbols='Tc3Ir', pbc=True, cell=[[2.7067418084550052, -7.739322834004481e-05, -9.369243398381876e-07], [7.561771574268381e-05, 2.7067413604795187, 1.0653075584165982e-06], [-2.6441479911468386e-06, 3.004713626303226e-06, 7.660170924926498]], calculator=SinglePointDFTCalculator(...))"
8763,CrTi2W,16.956764146091853,0.1649598848437499,99,1.1002076861109564,-0.0286506414413452,True,"Atoms(symbols='Ti2CrW', pbc=True, cell=[[3.0207313009960237, 7.447994730484354e-06, -1.2032553986872133e-05], [-1.1159742104393498e-05, 3.0207308691838293, -2.0873985231489042e-05], [5.4815648717491545e-05, 3.67224115186011e-05, 6.4836271539071015]], calculator=SinglePointDFTCalculator(...))"
98400,IrMo4Nb2Si,16.942227014800114,0.05884824500000008,6,1.14221930159719,-0.2996889352798462,True,"Atoms(symbols='Nb2SiMo4Ir', pbc=True, cell=[[4.964219326189554, -4.5985787890052935e-06, -2.9550867174564453e-05], [3.593889292711746e-06, 4.979320359148919, -0.00253652107700806], [3.2644910946732144e-05, -0.009076055005293173, 4.966230244706344]], calculator=SinglePointDFTCalculator(...))"
22314,OsRe2Tc3,16.89345115216298,0.10733100138888929,38,1.1232791426978375,-0.0344069004058837,True,"Atoms(symbols='Re2Tc3Os', pbc=True, cell=[[3.8452359212553175, -1.5924623255646212e-05, -0.0008001024064029723], [1.5967420923814333e-05, 3.8474439152072644, 2.3990038356783423e-05], [-1.924552862659025, -1.1135175117923152e-05, 5.780571154509373]], calculator=SinglePointDFTCalculator(...))"
14410,Ru2Tc2,16.8893511160534,0.13677477499999924,141,1.0392949295336902,-0.0848404169082641,True,"Atoms(symbols='Tc2Ru2', pbc=True, cell=[[3.7965041708079306, 0.0023174720467238645, -0.001388556561260023], [-0.0014667306441208167, 3.796513689185551, -0.0013538359414471879], [-1.8971800742926346, -1.8991074576275642, 3.8064011031958587]], calculator=SinglePointDFTCalculator(...))"
173836,GaMo6Re,16.852418237510584,0.008486946718750943,200,1.002289258850572,-0.0783102512359619,True,"Atoms(symbols='GaReMo6', pbc=True, cell=[[4.947361469874769, 2.9851811354479803e-05, -1.9572413717655412e-05], [-0.00014577417574208738, 4.947340335273004, -2.568597655962452e-06], [7.081418449956522e-05, 4.750153208989432e-05, 4.94737305109578]], calculator=SinglePointDFTCalculator(...))"
122427,CrIrReTc,16.819369831696935,0.16964368166666866,25,1.1267802210441376,-0.1531265974044799,True,"Atoms(symbols='CrReTcIr', pbc=True, cell=[[2.6810115466271225, 3.3594673414967334e-05, -5.4296446285288655e-05], [-4.770373201519025e-05, 3.7633714845231783, -4.05747164199154e-06], [0.00010149367149336781, -3.726210772955782e-05, 5.392453951802073]], calculator=SinglePointDFTCalculator(...))"
128026,HNb2TiV,16.804520537044564,0.19188765600000046,38,1.1017181805513825,-0.0528452396392822,True,"Atoms(symbols='TiNb2VH', pbc=True, cell=[[3.153318812912714, 1.482169524038613e-05, -1.9948019657003335e-07], [-6.722165989177474e-06, 3.2371327985985636, -3.2892550076575184], [-6.1712206843650004e-06, 3.2371256078124295, 3.28924658516033]], calculator=SinglePointDFTCalculator(...))"
59160,Re2RuTc3,16.704486369366847,0.11644308611110965,38,1.1005676557480626,-0.0439579486846923,True,"Atoms(symbols='Re2Tc3Ru', pbc=True, cell=[[3.8313940049354116, 0.00011909443267849165, -0.0004987287001423725], [-0.00011922963556995278, 3.8401458696578605, 8.782779829316205e-05], [-1.9168503932256524, -0.00016123910541680962, 5.768176155211978]], calculator=SinglePointDFTCalculator(...))"
363,Re4Zr2,16.64369564493493,0.06866525333333051,9,1.3596905150933074,-0.3879835605621338,True,"Atoms(symbols='Zr2Re4', pbc=True, cell=[[5.259417693975727, 0.0004987642686392462, 0.0005691770478792922], [2.629287807145313, 4.553737643995504, 0.00701790615056947], [2.6290643251853725, 1.5099789393059209, 4.296190277855614]], calculator=SinglePointDFTCalculator(...))"
17833,Mo2RhTc,16.621969384751498,0.1178153029166662,123,1.2307773153939492,-0.1071325540542602,True,"Atoms(symbols='TcMo2Rh', pbc=True, cell=[[2.7375641615487716, -3.0232693099386032e-05, 9.206663742199862e-06], [3.256891858351783e-05, 2.737562184742593, 4.338191014380121e-05], [-7.860223729451714e-06, -0.00013949339713181737, 7.758799770773809]], calculator=SinglePointDFTCalculator(...))"
62884,CrTc2W,16.61690652426847,0.1254717799999998,99,1.0908850583778698,-0.0432667732238769,True,"Atoms(symbols='CrTc2W', pbc=True, cell=[[3.0090697812559877, -4.7242918018115904e-05, 0.00012894587621753694], [4.868785980161672e-05, 3.009069410913766, -1.0915988767791865e-05], [-0.00025838958952014557, 1.905441087192145e-05, 6.115272279941447]], calculator=SinglePointDFTCalculator(...))"
35046,GeSbZr6,16.560291030657318,0.1946015514062509,6,1.3895783299094924,-0.4658091068267822,True,"Atoms(symbols='Zr6GeSb', pbc=True, cell=[[5.483805972468029, -0.0001753535315710918, -0.0015010713279800367], [0.00014912242494168483, 5.483846732597513, -2.823051344426756e-05], [0.00133458183328816, 5.248998279790925e-05, 5.48385764047247]], calculator=SinglePointDFTCalculator(...))"
28912,HHf2TiZr,16.513149935423744,0.19716841500000015,123,1.6141098091918653,-0.1552320718765258,True,"Atoms(symbols='Hf2ZrTiH', pbc=True, cell=[[4.432657455370491, 0.000623717784221304, -0.00011499697295917439], [-0.0005816703128288855, 4.432615489650502, -0.0002835638233296229], [0.00011050518756199338, 0.0002726091353842229, 4.2590597145203075]], calculator=SinglePointDFTCalculator(...))"
18411,Ir2Mo3Nb3,16.49376535051348,0.005252660937500764,155,1.2017068246633267,-0.2884007692337036,True,"Atoms(symbols='Nb3Mo3Ir2', pbc=True, cell=[[5.027433386616955, 0.0038656047914821723, 0.003825545841410572], [0.012906735432239028, 5.027408646567323, 0.00380638831839118], [0.012910675740184894, 0.012906720179434075, 5.027397135783852]], calculator=SinglePointDFTCalculator(...))"
116961,BeNbTi2,16.49046314358657,0.14505178452380907,123,1.1089905503469701,-0.0406634807586669,True,"Atoms(symbols='Ti2BeNb', pbc=True, cell=[[3.1775434049980307, -5.603294562503307e-05, -4.43811676208107e-05], [5.8390204726492013e-05, 3.1751379598052925, 1.7157387237113582e-05], [7.595114447282276e-05, -3.232263430967898e-05, 5.8353900117867585]], calculator=SinglePointDFTCalculator(...))"
4612,HfTaTc4,16.489878553614677,0.15812618374999765,1,1.2729650722080945,-0.2907552719116211,True,"Atoms(symbols='HfTaTc4', pbc=True, cell=[[5.137562203897732, -0.0015721172244059513, 0.0016831039866734834], [2.570207037187962, 4.448349716769179, 0.004642332853622284], [2.567819624435952, 1.4785281399127557, 4.197080502365472]], calculator=SinglePointDFTCalculator(...))"
23709,GeNb6Pb,16.471938694165456,0.14078952031250047,200,1.3522312526754423,-0.0371835231781005,True,"Atoms(symbols='Nb6GePb', pbc=True, cell=[[5.210897678122047, 1.8153244465369936e-06, -2.603905620105542e-06], [1.8153244465369936e-06, 5.210885981716721, -4.2869177891981484e-07], [-2.603905620105542e-06, -4.2869177891981484e-07, 5.21087271873403]], calculator=SinglePointDFTCalculator(...))"
17959,MoTaTi2,16.46402048598304,0.061841937500000554,47,1.179646385893427,-0.0482709407806396,True,"Atoms(symbols='TaTi2Mo', pbc=True, cell=[[3.1811967942491535, 9.316205918817487e-08, 3.6622326715351502e-06], [-7.709963519021368e-07, 4.528295578539021, 2.6223513419071427e-05], [-7.822400487007097e-06, -2.6252425782267762e-05, 4.503684472278076]], calculator=SinglePointDFTCalculator(...))"
40438,IrMo4Nb2Zn,16.432050429049006,0.07128397729166736,6,1.3318868410937537,-0.1443972587585449,True,"Atoms(symbols='Nb2ZnMo4Ir', pbc=True, cell=[[4.974475648023909, -3.708746086416333e-05, -8.340914743740115e-06], [4.492651551501896e-05, 4.998153457392208, 0.016639196472589695], [8.702254010616944e-06, 0.013756582359474226, 4.97655118579145]], calculator=SinglePointDFTCalculator(...))"
192121,HGe2Nb6,16.428303429737436,0.09658874489583091,115,1.0527127284058817,-0.2663643360137939,True,"Atoms(symbols='Nb6Ge2H', pbc=True, cell=[[5.165862345052841, 0.00011191404615427781, -0.00010995504100523919], [-0.00019543557768182264, 5.13598371867202, -3.5209852545387315e-06], [0.00023594780416394116, 5.875448242996603e-05, 5.1359176192262845]], calculator=SinglePointDFTCalculator(...))"
178355,HNbTi2,16.422868794464076,0.13416484499999992,22,1.1100871459346477,-0.2424541711807251,True,"Atoms(symbols='Ti2NbH', pbc=True, cell=[[3.2719599826974046, 0.0018990602771974507, -0.00036452828335746215], [-1.6367990503843892, 2.3456673658444718, 0.00035583878133468616], [3.2744759408459156, -2.3466706560151853, 6.8752472845432235]], calculator=SinglePointDFTCalculator(...))"
602,HfRe4Zr,16.409026274095254,0.08108189374999952,1,1.3442578461465295,-0.3896124362945556,True,"Atoms(symbols='HfZrRe4', pbc=True, cell=[[5.247028220120707, 0.0031660951076442167, -0.0024746520344577755], [2.619919930437684, 4.546132549044144, -0.005886142870717313], [2.6255706513355634, 1.5205424980277196, 4.281388677541595]], calculator=SinglePointDFTCalculator(...))"
11749,OsReTc2,16.373090009724937,0.13753280458333528,99,1.07697645989797,-0.0373880863189697,True,"Atoms(symbols='ReTc2Os', pbc=True, cell=[[2.7169052372595734, -2.1129661442907208e-05, 5.626160015321441e-06], [2.0575278846275536e-05, 2.716904792655709, -8.142837446565227e-05], [2.3665550152252094e-05, 0.00028384388947541697, 7.693783357979415]], calculator=SinglePointDFTCalculator(...))"
580,H2Mo2,16.31738029208432,0.005679210000000268,71,0.9358198196093146,-0.0168871879577636,True,"Atoms(symbols='Mo2H2', pbc=True, cell=[[2.895709631321609, 0.0007066110399798005, 0.0002244073064345091], [1.4473685833115115, 2.5079805371624384, 0.006218506553833456], [1.4488065775887389, 0.8255074016391173, 4.73007991044486]], calculator=SinglePointDFTCalculator(...))"
42188,MoNbTaTi,16.282781459164635,0.048181799999998276,99,1.7952660359006192,-0.0309789180755615,True,"Atoms(symbols='TaTiNbMo', pbc=True, cell=[[3.197851401050051, -2.8375912072854896e-06, 1.3140479510766634e-05], [5.188738207607752e-06, 3.1978464004036034, -8.250093750096327e-05], [0.00013045785038477792, -5.612917556079686e-05, 6.490015535676049]], calculator=SinglePointDFTCalculator(...))"
18894,CrMoTi2,16.25169814616839,0.15269222984374942,99,1.0233298365947545,-0.0217460393905639,True,"Atoms(symbols='Ti2CrMo', pbc=True, cell=[[3.014754317573414, -8.534407652137515e-05, 3.84404528157025e-05], [0.00012650005035644936, 3.0147566434232558, 2.131623114085285e-05], [-0.0002430939287431279, -4.7719497733914375e-05, 6.467682086881021]], calculator=SinglePointDFTCalculator(...))"
8620,IrTc2V,16.19215164620698,0.17803307099999977,123,1.1472700030623755,-0.2217409610748291,True,"Atoms(symbols='VTc2Ir', pbc=True, cell=[[3.777606860776796, 9.126589198381538e-08, -3.650635679352615e-07], [9.126589198381538e-08, 3.777558782665448, 6.084392798921026e-08], [-3.726690589339128e-07, 6.084392798921026e-08, 3.859582649308505]], calculator=SinglePointDFTCalculator(...))"
1449,Mo3Tc,16.156377030528,-0.011571152499998405,123,1.0360560755357298,-0.0442545413970947,True,"Atoms(symbols='TcMo3', pbc=True, cell=[[3.1093142708544956, 3.1360292289033687e-09, -7.526470149368084e-08], [3.1360292289033687e-09, 3.109309482137863, -8.153675995148758e-08], [-1.5052940298736168e-07, -1.6307351990297516e-07, 6.221150633631781]], calculator=SinglePointDFTCalculator(...))"
56399,HfNbReZr,16.152042732138895,0.17070286470000084,216,1.5770545807071643,-0.1493682861328125,True,"Atoms(symbols='HfZrNbRe', pbc=True, cell=[[4.683338220817502, -2.3183987636040416e-06, -1.2374275609420347e-06], [2.3416848508666144, 4.055886788917908, -1.175793237983236e-06], [2.3416834901704076, 1.351962281937043, 3.8239020102642276]], calculator=SinglePointDFTCalculator(...))"
53971,H2Mo2,16.144511421402296,0.00598820750000062,11,0.9288368423609435,-0.0231528282165527,True,"Atoms(symbols='Mo2H2', pbc=True, cell=[[2.895479167344842, 1.4558553146373561e-08, -0.003325333682716331], [1.4558553146373561e-08, 2.895409129057365, 2.9117106292747125e-09], [-2.8909347324504653, -1.164684251709885e-08, 4.098253389673046]], calculator=SinglePointDFTCalculator(...))"
94833,OsReRuTc,16.074425654770867,0.15728449916666953,10,1.0636714550951774,-0.054761528968811,True,"Atoms(symbols='ReTcOsRu', pbc=True, cell=[[2.705803474422648, -2.8283311861863163e-06, -2.4819492569233823e-07], [4.3475023247646936e-06, 4.682613337886175, 0.007236458530822321], [-1.077329622510699e-06, -1.5612085268116618, 4.419218554014173]], calculator=SinglePointDFTCalculator(...))"
35506,Ru3V,16.060478925314623,0.1054338174999998,38,0.9996017691979807,-0.1250522136688232,True,"Atoms(symbols='VRu3', pbc=True, cell=[[3.758204848935547, -4.81147693372528e-05, -0.00021006315409230939], [5.1504846292136643e-05, 3.7581971186479617, -7.376457804634593e-05], [0.0002201877785405275, 7.712045018890473e-05, 3.7582109449932104]], calculator=SinglePointDFTCalculator(...))"
57630,Re3Ru,16.047406592422647,0.1812722700000009,166,1.1480408848475863,-0.0716091394424438,True,"Atoms(symbols='Re3Ru', pbc=True, cell=[[2.728457637225784, -0.0004938290759251721, 0.00034350751403054844], [1.365589821553435, 2.3621196071870445, 0.00031286017761260207], [1.3644873550572654, 0.7871853690965063, 8.908293924297464]], calculator=SinglePointDFTCalculator(...))"
1189,MoNbRe4,16.01761113694684,0.15207406270833168,1,1.3712880573210966,-0.0741703510284423,True,"Atoms(symbols='NbRe4Mo', pbc=True, cell=[[5.125988213360466, -0.012589931516671295, -0.011130141905488446], [2.5734678602804637, 4.432352205584849, 0.0013476947755409127], [2.5753456008421054, 1.467130791970686, 4.181438787333422]], calculator=SinglePointDFTCalculator(...))"
78397,CrRhRu2,15.925393596394693,0.18904005499999954,123,0.9869272196864648,-0.0447057485580444,True,"Atoms(symbols='CrRu2Rh', pbc=True, cell=[[2.6464244245083925, 2.5518974895030367e-05, 6.431328336456251e-08], [-2.5106297993441087e-05, 2.6464232239937697, -3.2156641682281257e-08], [1.822209695329271e-07, -9.111048476646355e-08, 7.380850734657589]], calculator=SinglePointDFTCalculator(...))"
59026,HNb3Ti,15.910311741149483,0.14636135800000005,6,1.1053923202202582,-0.1121281385421752,True,"Atoms(symbols='TiNb3H', pbc=True, cell=[[4.734745363553376, 2.754168379721144e-05, 0.02475649498647236], [1.885923044383372e-05, 3.286791726895791, -3.2039069706874715e-05], [0.04987838816340644, -4.546876374267478e-05, 4.631467960502007]], calculator=SinglePointDFTCalculator(...))"
54739,BTc3,15.897632410294761,0.1865455362499997,12,0.9811453575171163,-0.2172330617904663,True,"Atoms(symbols='Tc3B', pbc=True, cell=[[2.835828829110217, -0.0034943531391613603, -0.00155347341397819], [1.4209455202628245, 2.454149725934356, -0.0015595316220331755], [0.0038898293973390168, 0.002257130830869468, 6.996323609904131]], calculator=SinglePointDFTCalculator(...))"
20827,Mo2Ti2,15.895335603614361,0.03304138250000044,129,1.0181564915868555,-0.0643541812896728,True,"Atoms(symbols='Ti2Mo2', pbc=True, cell=[[3.119529377324604, 3.039052867102057e-06, -1.5878657570910435e-05], [-2.639094614125931e-06, 3.119537641028981, -1.7566670355124635e-05], [5.764437686988191e-05, 6.424841196036172e-05, 6.458002877978186]], calculator=SinglePointDFTCalculator(...))"
167606,H4Mo4,15.86763225291387,0.005719098750000207,59,0.9212356559755075,-0.0163100957870483,True,"Atoms(symbols='Mo4H4', pbc=True, cell=[[4.09432840815502, 0.0026700380533047335, -0.004116458739965951], [-0.003156328794939946, 4.094329192049078, -0.004118983703983706], [-2.0421431872925786, -2.045048715372363, 4.099311296745555]], calculator=SinglePointDFTCalculator(...))"
1785,HNb2TiZr,15.866539467270684,0.1763533129999999,6,1.1610695162932079,-0.1699559688568115,True,"Atoms(symbols='ZrTiNb2H', pbc=True, cell=[[4.802301067224816, -5.603327198560405e-05, 0.03634256021343661], [7.212203324879729e-06, 3.3095484076453525, 0.00010280552985025929], [0.08535082983590057, -6.84478001109537e-05, 4.777910485683679]], calculator=SinglePointDFTCalculator(...))"
115116,MnMoRuTc,15.839841456597888,0.11928075508620672,47,1.0828520470431018,-0.0064218044281005,True,"Atoms(symbols='MnTcMoRu', pbc=True, cell=[[3.7462431231459106, -4.360312487003503e-06, -0.0004348017419816313], [4.2810916932716085e-06, 3.7862600177486554, 1.4354807824219383e-06], [0.0004383413270455724, -1.4006236331799043e-06, 3.767929393975394]], calculator=SinglePointDFTCalculator(...))"
23867,ReTcW2,15.788949404418151,0.12655393749999888,6,1.2136663051337027,-0.0590294599533081,True,"Atoms(symbols='ReTcW2', pbc=True, cell=[[2.7146913326502418, -2.9186368147850778e-05, -0.005489741380090794], [5.355130844342551e-05, 4.378048628428921, -1.2100193221980609e-05], [-0.9565644733621105, 3.8829223852402866e-05, 5.062641773208422]], calculator=SinglePointDFTCalculator(...))"
72557,H2Mo2,15.784444506375104,0.0061633025000000785,4,0.9149780435875691,-0.0140436887741088,True,"Atoms(symbols='Mo2H2', pbc=True, cell=[[4.093517795593392, 0.0014246021135767434, 1.6496278483733525e-08], [-2.0483590986706623, 2.046793428631632, -7.835732279773423e-08], [1.6496278483733525e-08, -1.4434243673266834e-07, 4.095084599751568]], calculator=SinglePointDFTCalculator(...))"
118076,Nb2Sn2Zr4,15.775414749803536,0.17168322875000008,40,1.7245537068674002,-0.3670936822891235,True,"Atoms(symbols='Zr4Nb2Sn2', pbc=True, cell=[[5.447099086241632, -0.00985986506875423, 1.667949375847103e-05], [-0.016693486215027923, 5.447107980500295, -0.0008122135488618877], [-0.00011560329249999503, 0.000839591533654985, 5.489173244426865]], calculator=SinglePointDFTCalculator(...))"
80814,HfMoTaV,15.755218120373115,0.1400110981250009,99,1.2844038214990043,-0.0398817062377929,True,"Atoms(symbols='HfTaVMo', pbc=True, cell=[[3.2103747601076393, 3.770521318389008e-05, -7.857770325709635e-05], [-5.109548532518369e-05, 3.2103998319466465, -4.88735187689865e-05], [7.230162228257444e-05, 3.998240405508048e-05, 6.476076968240978]], calculator=SinglePointDFTCalculator(...))"
1695,Nb6Pt2,15.73506206893049,-0.011117021249999581,223,1.3162752458368057,-0.3703017234802246,True,"Atoms(symbols='Nb6Pt2', pbc=True, cell=[[5.135038323645463, 2.8637512742748906e-07, -2.8116830692880743e-07], [2.8637512742748906e-07, 5.135037287488185, 2.759614864301258e-07], [-2.8116830692880743e-07, 2.759614864301258e-07, 5.135034642423371]], calculator=SinglePointDFTCalculator(...))"
32474,MoNbTaTi,15.726145385191472,0.05812091749999837,47,1.1271519563531023,-0.0385006666183471,True,"Atoms(symbols='TaTiNbMo', pbc=True, cell=[[3.208703936844947, -2.0579126138515524e-05, -1.9302625694936122e-05], [5.6014132122941205e-05, 4.538238278272428, 1.4219245447466756e-07], [3.671796972139029e-05, -4.459672435796391e-07, 4.539929221246101]], calculator=SinglePointDFTCalculator(...))"
3096,Hf2Re4,15.716661261613151,0.0941876258333334,9,1.29783222100665,-0.3945474624633789,True,"Atoms(symbols='Hf2Re4', pbc=True, cell=[[5.235271435369925, 0.0019154875935809446, -0.002667361870902743], [2.6149814302101064, 4.535446960616756, -0.002749351157334516], [2.62026226470212, 1.5146284033989166, 4.273067299775276]], calculator=SinglePointDFTCalculator(...))"
101556,HNbTi2,15.647355698792246,0.13890709750000063,8,1.0717572039533874,-0.256638765335083,True,"Atoms(symbols='Ti2NbH', pbc=True, cell=[[3.2342551444864247, -0.0006615821721653306, -0.0010435265870017637], [1.6170093630562803, 2.363019398357026, 0.011502541509882702], [1.6195265713214009, -0.06729016523205199, 6.928838889893865]], calculator=SinglePointDFTCalculator(...))"
58576,MoTaTiV,15.599497542929097,0.10721537250000246,47,1.089487082620114,-0.0515234470367431,True,"Atoms(symbols='TaTiVMo', pbc=True, cell=[[3.1415769371941704, -2.678944726052656e-06, 5.278253758703033e-06], [-3.809771572365014e-06, 4.512864909674121, 2.360401952443541e-06], [7.387006919995375e-06, 2.312620536402174e-06, 4.3624910500657315]], calculator=SinglePointDFTCalculator(...))"
710,MoNbTc4,15.571118934383993,0.09961764666666895,1,1.1669389682281055,-0.0659292936325073,True,"Atoms(symbols='NbTc4Mo', pbc=True, cell=[[5.062218392770558, -0.007823937869072012, -0.0027492067961037902], [2.5376279031162894, 4.379937052516725, -0.001475577612765728], [2.535910244530367, 1.4572312137668733, 4.131833677399507]], calculator=SinglePointDFTCalculator(...))"
8187,Mn2Tc2,15.566379604567215,0.1817681551724153,221,0.9673263536600355,-0.0035786628723144,True,"Atoms(symbols='Mn2Tc2', pbc=True, cell=[[2.6441325376030007, -0.0006844664861624758, 1.4323033561569227e-05], [-0.0006783613416671106, 2.9342116111333474, -2.97212609444774], [-0.00060065895930368, 3.111651429143653, 3.159001199610517]], calculator=SinglePointDFTCalculator(...))"
39632,MoOsRe,15.536222992914578,0.1869173499999981,8,1.1843421886681675,-0.0073937177658081,True,"Atoms(symbols='ReMoOs', pbc=True, cell=[[2.735077113248084, -0.0029594091422474, 0.005156610017128013], [-1.3649829317965325, 2.3701320117916844, -0.0050044938018823535], [-0.01275683436516401, 0.0070765881824454676, 6.8117344658266195]], calculator=SinglePointDFTCalculator(...))"
197628,MoOsRe,15.535553477394187,0.1871908266666633,1,1.1843385385332499,-0.0003869533538818,True,"Atoms(symbols='ReMoOs', pbc=True, cell=[[2.735118432674604, 0.0017255552713179602, -0.005329592915018548], [-1.3690286129120148, 2.367818675044774, 0.0008088768282663093], [0.012924100077605881, 0.005696161508251358, 6.811634235639768]], calculator=SinglePointDFTCalculator(...))"
35022,Hf2Re4,15.499116867923053,0.0940490958333342,122,1.2828054500737034,-0.3945052623748779,True,"Atoms(symbols='Hf2Re4', pbc=True, cell=[[5.235114172743793, -0.00398786852318394, 0.004458624854684428], [2.6225733300999665, 4.532686837988644, -0.00010541080445823765], [2.613275440543013, 1.5130539939119592, 4.276266795730622]], calculator=SinglePointDFTCalculator(...))"
1796,HNb3Zr,15.427933458333918,0.16680333699999927,38,1.1152376456982005,-0.1166574954986572,True,"Atoms(symbols='ZrNb3H', pbc=True, cell=[[4.816884026478733, 0.00032020484008113344, 0.008989666759652539], [-0.0001371797133779552, 3.3218509101381897, 0.00023879467765244026], [-0.12360835261463607, -0.0002250806134554416, 4.815534612377793]], calculator=SinglePointDFTCalculator(...))"
2514,MoNbRu2,15.426426043006954,0.14035677187500006,6,1.248194894075487,-0.1412869691848755,True,"Atoms(symbols='NbMoRu2', pbc=True, cell=[[2.8157941042037327, 6.378214011299578e-05, -0.006292118675492817], [0.00010157167478597142, 4.470299099393519, -0.00011452376754391407], [0.4922201694443671, -0.00010905884578125868, 4.763518523915417]], calculator=SinglePointDFTCalculator(...))"
124256,TcTiV2,15.412186435262077,0.17018706500000036,123,0.9493174685042706,-0.1814795732498169,True,"Atoms(symbols='TiV2Tc', pbc=True, cell=[[3.0114811324704065, -4.661359789919867e-06, 1.884385984490854e-05], [-6.590619375531757e-06, 4.277956964052142, 2.365785093115846e-06], [-5.6546842664358624e-05, 2.365785093115846e-06, 4.277939255769142]], calculator=SinglePointDFTCalculator(...))"
131691,HNbTi2,15.390066586161389,0.1444093500000001,1,1.0664200706082092,-0.2599362134933471,True,"Atoms(symbols='Ti2NbH', pbc=True, cell=[[2.8625597748855145, -0.024292697838137065, -0.04797408173187278], [1.0575228647092998, 2.660207497887836, -0.027229024607961477], [-0.8092093509352934, 1.3520630271155858, 6.939241300922944]], calculator=SinglePointDFTCalculator(...))"
6340,ReRuTc2,15.386070493290314,0.13630440083333184,99,1.0064756989922223,-0.0573428869247436,True,"Atoms(symbols='ReTc2Ru', pbc=True, cell=[[2.707583193026897, 8.019474607537941e-05, -2.4859302714199915e-05], [-8.039476030420522e-05, 2.7075812531628696, -7.657257058897223e-05], [6.215236666691403e-05, 0.00019130949999047512, 7.661660720114782]], calculator=SinglePointDFTCalculator(...))"
31090,HHfNb3,15.33092490007397,0.17103494900000094,25,1.241545043356719,-0.0760923624038696,True,"Atoms(symbols='HfNb3H', pbc=True, cell=[[4.811181037124536, -7.638264314026751e-05, -0.013303151911135307], [6.388031698086489e-05, 3.378517946863617, 0.00010692176468250257], [-0.010181980029316992, -9.615144867575603e-05, 4.720685348153302]], calculator=SinglePointDFTCalculator(...))"
13463,HHfNb3,15.330569398036344,0.17097858300000013,6,1.241795411806896,-0.0762137174606323,True,"Atoms(symbols='HfNb3H', pbc=True, cell=[[4.811102695277071, 5.401738489525587e-05, -0.020553391041229944], [-9.412738301985585e-05, 3.378582600987511, -2.5859280517745464e-05], [-0.002894826288168935, -7.977714922859593e-05, 4.720650091664852]], calculator=SinglePointDFTCalculator(...))"
78056,Nb4Ru2,15.314600949334292,0.15221515500000038,140,1.3554604279360458,-0.1924396753311157,True,"Atoms(symbols='Nb4Ru2', pbc=True, cell=[[5.3392302465959425, -0.00021269779942010222, 8.363852845799613e-06], [2.6701788491395857, 4.351528090955166, 7.721850196757926e-05], [2.669743626418615, -0.00020397757840914912, 4.351700427360123]], calculator=SinglePointDFTCalculator(...))"
51254,AuNb6Pt,15.300722439301397,-0.0007357749999989949,200,1.4385641473482345,-0.217771291732788,True,"Atoms(symbols='Nb6PtAu', pbc=True, cell=[[5.155476883499374, -5.049572463402848e-05, 5.8448631218187975e-05], [3.869193696701281e-05, 5.155477846219645, 2.769913648456603e-05], [-4.378284361595175e-05, -2.1069970272638345e-05, 5.155478013649257]], calculator=SinglePointDFTCalculator(...))"
2570,MoRuTc2,15.285302984051066,0.16230700875000004,6,1.0237114694335383,-0.0679354667663574,True,"Atoms(symbols='Tc2MoRu', pbc=True, cell=[[2.7076315644146725, 0.00025443689151370154, -0.3116137496051646], [-0.00031969419634808344, 3.8222006222555267, 0.00034118599392833626], [-2.0800210542672875, -0.0006873034265436984, 5.742586074785104]], calculator=SinglePointDFTCalculator(...))"
2921,IrOsRe2,15.215597583962074,0.09902831499999998,123,1.1882865888503564,-0.1487678289413452,True,"Atoms(symbols='Re2IrOs', pbc=True, cell=[[3.8462371627095413, -4.0666492449417446e-05, 1.1652290100119611e-08], [4.029750326291365e-05, 3.8462203018457664, 1.6313206140167456e-07], [1.1652290100119611e-08, 1.6313206140167456e-07, 3.8545068551391433]], calculator=SinglePointDFTCalculator(...))"
142216,NbTa2Zr,15.157470445295276,0.1078784025000008,10,1.3196983020026194,-0.0015492439270019,True,"Atoms(symbols='ZrTa2Nb', pbc=True, cell=[[2.911129015287606, -1.4253483035234192e-05, 0.00410808949826925], [1.716561197695423e-05, 4.697196820913152, 8.482092401344607e-05], [-1.8143199042975386, -7.698830134261287e-05, 5.441503804956071]], calculator=SinglePointDFTCalculator(...))"
48378,IrMo4Nb2Sn,15.084030692880352,0.07424354031250147,6,1.1889582721081604,-0.1892423629760742,True,"Atoms(symbols='Nb2SnMo4Ir', pbc=True, cell=[[5.059891687518361, -0.00011077597790474527, -4.135820572655241e-05], [9.771253178886674e-05, 5.074521617218403, -0.006579881413698739], [4.041232019565709e-05, -0.019130662684726768, 5.045307267694593]], calculator=SinglePointDFTCalculator(...))"
114468,CrIrTc2,15.055044781301714,0.18872700527777653,10,0.9893918846615198,-0.1598868370056152,True,"Atoms(symbols='CrTc2Ir', pbc=True, cell=[[2.662864240977049, 7.952446241666753e-05, 0.0001350497361551419], [-0.0001451749804511036, 4.63973603477556, 0.014676198378376304], [-0.00018170737671386377, -1.5478124349856253, 4.350564728999547]], calculator=SinglePointDFTCalculator(...))"
38738,HHf3Ti,14.992814946504899,0.18387302200000022,25,1.3950126561979708,-0.1557272672653198,True,"Atoms(symbols='Hf3TiH', pbc=True, cell=[[4.2810458451463385, 0.0004398511121678422, -0.00013644990732489614], [-0.00044596100520266505, 4.405095322475403, 1.6756316091209502e-05], [0.00013840787018584082, -1.5755482396664126e-05, 4.405127716271664]], calculator=SinglePointDFTCalculator(...))"
25111,NbTc6,14.941003817497682,0.15527159857142792,1,1.9582193201611342,-0.0208983421325683,True,"Atoms(symbols='NbTc6', pbc=True, cell=[[4.938324821275539, -0.002267224375223718, 0.002935056095482168], [2.471890743702834, 4.623649165661189, 0.0022800873859674655], [2.4645968566977197, -0.00434183353826483, 4.626339289635265]], calculator=SinglePointDFTCalculator(...))"
563,MnTi2Zr,14.844979050046685,0.10579748605000105,99,1.0566770723488208,-0.1321792602539062,True,"Atoms(symbols='ZrTi2Mn', pbc=True, cell=[[2.9993484561300923, 2.8872793837233423e-05, 4.903903030831344e-05], [-5.312764424965173e-05, 2.999355115338364, -1.5384018378978973e-05], [-0.001973827054156552, 0.0010310060646272026, 7.135257591340988]], calculator=SinglePointDFTCalculator(...))"
94340,IrOsTc2,14.844715761214506,0.1421853816666676,10,0.9869312908503795,-0.1396019458770752,True,"Atoms(symbols='Tc2IrOs', pbc=True, cell=[[2.7004240818337903, 4.992939905682561e-05, -2.466958922729249e-05], [-8.571254303414205e-05, 4.677847441281437, 0.009275447319920678], [6.826431647481664e-05, -1.5623882176095885, 4.42621569186679]], calculator=SinglePointDFTCalculator(...))"
13178,MnTi2Zr,14.838777263213032,0.10601257855000057,25,1.0559631982585755,-0.1319470405578613,True,"Atoms(symbols='ZrTi2Mn', pbc=True, cell=[[2.999510255620462, -1.597497312926107e-05, -0.0008056405344550741], [1.8129821525183027e-05, 2.999505633758572, -0.0002742991686656996], [0.0004986670752739953, 8.582721761478739e-05, 7.134155107320664]], calculator=SinglePointDFTCalculator(...))"
60122,Hf2Re3Tc,14.834059761698462,0.08270280208333247,1,1.1858489898594047,-0.4011528491973877,True,"Atoms(symbols='Hf2Re3Tc', pbc=True, cell=[[5.203395931350401, -0.0014474156776489956, -0.0005414902786220842], [2.6029025541473665, 4.505610692340803, -0.0006572793314895602], [2.602487676635235, 1.5018354559021956, 4.298165256137333]], calculator=SinglePointDFTCalculator(...))"
18931,IrOsReTc,14.803095406790225,0.10530570999999966,47,1.1341211556968,-0.1437549591064453,True,"Atoms(symbols='ReTcIrOs', pbc=True, cell=[[3.8360263762919464, 7.352030148186892e-08, 2.0779158892507166e-05], [7.352030148186892e-08, 3.8316602493647802, -1.9347447758386557e-08], [-2.1247367128260116e-05, -1.9347447758386557e-08, 3.842025814758876]], calculator=SinglePointDFTCalculator(...))"
84899,Mo3Nb3OsSb,14.774397991930085,0.12717905354166703,146,1.093611678579919,-0.2369357347488403,True,"Atoms(symbols='Nb3SbMo3Os', pbc=True, cell=[[5.090399880035634, -0.0014009611615485157, -0.0014816303142001224], [-0.011919764774387498, 5.090383354206664, -0.001459539138956719], [-0.011859582698099842, -0.011875407056177538, 5.090378026122604]], calculator=SinglePointDFTCalculator(...))"
154950,HAu2Nb6,14.75289401461631,0.04712958777777754,6,1.3104365712075132,-0.196114182472229,True,"Atoms(symbols='Nb6HAu2', pbc=True, cell=[[5.197982173158933, -1.6682932064326057e-05, -3.5328562018572826e-05], [5.3662903866622494e-05, 5.2341672259354635, 0.002114875565294323], [-6.431528838207927e-05, -0.0022137069009771047, 5.1979679699795795]], calculator=SinglePointDFTCalculator(...))"
146672,MoNbOs2,14.673525163236373,0.14677393500000058,25,1.257638147443561,-0.1013851165771484,True,"Atoms(symbols='NbMoOs2', pbc=True, cell=[[2.937638963929959, -0.000182674356014538, -0.00021995531489597128], [-0.00027731739347649896, 4.552226774047482, -0.17932449846935336], [-0.00022736348533031203, -0.18972118927578052, 4.553226759930894]], calculator=SinglePointDFTCalculator(...))"
59109,Mo2OsRu2W,14.612703849526556,0.0886255522222239,6,1.1255479517938536,-0.0477919578552246,True,"Atoms(symbols='Mo2OsRu2W', pbc=True, cell=[[2.7785924511584463, 6.325864494720297e-05, 4.523646460187626e-05], [-0.00011351258411477439, 4.728892621061632, 0.07816695908167783], [-6.668376428150786e-05, -1.7163585232900735, 6.5875746076355775]], calculator=SinglePointDFTCalculator(...))"
4531,HfMnTi2,14.598775024003237,0.12538939605000188,25,1.14669511853132,-0.1429992914199829,True,"Atoms(symbols='HfTi2Mn', pbc=True, cell=[[3.0145549327737244, 6.115860645911966e-05, -0.00010885320276233987], [-6.017656890855303e-05, 3.0145662583282795, -7.862419018555225e-07], [-0.0022034872899017633, -0.0012537621399864919, 6.973359914433058]], calculator=SinglePointDFTCalculator(...))"
5093,HfMnTi2,14.597418771947426,0.12527452105000236,123,1.1477078000226164,-0.1431490182876587,True,"Atoms(symbols='HfTi2Mn', pbc=True, cell=[[3.0145935775716652, -0.00011777716499462545, 7.342929390086006e-05], [0.00011772521751246503, 3.014578913103025, 1.122982334938247e-05], [0.0013290549409343435, -0.0020774409262796383, 6.973251538110435]], calculator=SinglePointDFTCalculator(...))"
3459,HfMnTi2,14.597406679122107,0.12511661105000194,8,1.147013473654486,-0.1439771652221679,True,"Atoms(symbols='HfTi2Mn', pbc=True, cell=[[3.0145792326897625, 0.00012343969986670155, -2.5044940217671148e-05], [-0.0001245961365556023, 3.0145905651590565, 7.164110031319455e-05], [0.001652578541280569, -0.0012183625005135234, 6.973187188575007]], calculator=SinglePointDFTCalculator(...))"
45690,HfMnTi2,14.592604340168327,0.12536548855000085,5,1.148532059121425,-0.1438056230545044,True,"Atoms(symbols='HfTi2Mn', pbc=True, cell=[[3.014564477637484, -8.936175743433043e-06, -5.2252612700389035e-06], [6.7396080666836675e-06, 3.0145580194837716, 4.6856031388709516e-05], [-0.0010978647161299596, 0.004825409470709071, 6.973396914459228]], calculator=SinglePointDFTCalculator(...))"
27258,HfMnTi2,14.588873199175083,0.12533878855000147,1,1.1501461642835102,-0.1432095766067505,True,"Atoms(symbols='HfTi2Mn', pbc=True, cell=[[3.0145718119140783, 2.5166201283743033e-05, 2.5468782523370257e-05], [-1.905956172035725e-05, 3.0145692231634724, 9.150790216605131e-05], [-0.003343308751549773, -0.002442671107235105, 6.973314169010197]], calculator=SinglePointDFTCalculator(...))"
11673,HfMnTi2,14.583463055570743,0.12515762605000091,38,1.1535404610521145,-0.1430976390838623,True,"Atoms(symbols='HfTi2Mn', pbc=True, cell=[[3.0145599027411456, -7.73709755626982e-05, 7.171392667311178e-05], [9.225810691776403e-05, 3.0145736486986685, 6.449462911498803e-05], [-0.004782699196782923, -0.00409166046737733, 6.9733528875429265]], calculator=SinglePointDFTCalculator(...))"
1028,HfMnTi2,14.583426464687175,0.1251504435500017,6,1.1553048809190058,-0.143101692199707,True,"Atoms(symbols='HfTi2Mn', pbc=True, cell=[[3.0145946999583373, -5.1967394740400244e-05, -3.755033796321336e-05], [5.0769792227864265e-05, 3.0145930746406417, 0.0002467397237753642], [0.0006074930398092232, -0.006828567605732247, 6.973147041723134]], calculator=SinglePointDFTCalculator(...))"
107778,IrLaP,14.551679308887454,0.06759714166666697,187,1.633094623447179,-1.19340181350708,True,"Atoms(symbols='LaPIr', pbc=True, cell=[[4.0928023466283765, -0.00010865769309729084, 2.161095009608616e-05], [-2.0462757013685944, 3.544553145983243, -8.076127270763635e-05], [-3.0617921653426865e-05, 0.0001143939074453634, 4.210040553273899]], calculator=SinglePointDFTCalculator(...))"
63468,HfMoYZr,14.547544369997683,0.13907476354166626,99,1.735846470126877,-0.1653808355331421,True,"Atoms(symbols='YHfZrMo', pbc=True, cell=[[3.3850415080574496, -1.4379315845203665e-05, 2.5116234103909612e-05], [1.3584240252628602e-05, 3.3850538215358577, -5.8397282946955427e-05], [0.0006497262605273004, 0.0005463664334925425, 7.690667264238154]], calculator=SinglePointDFTCalculator(...))"
89267,Re2RuTc,14.54389789349141,0.15605611166666655,99,1.0041594181969244,-0.0717260837554931,True,"Atoms(symbols='Re2TcRu', pbc=True, cell=[[2.717014773090677, 5.48270604669536e-09, 1.3479232815800539e-05], [5.48270604669536e-09, 2.7170138465133555, 2.9113169107952353e-06], [-4.99063317900445e-05, 8.25695530632321e-06, 7.691969926622302]], calculator=SinglePointDFTCalculator(...))"
1830,NbTc6,14.54212906313767,0.15539092999999937,8,2.021741587277519,-0.018164038658142,True,"Atoms(symbols='NbTc6', pbc=True, cell=[[4.938035702117222, 0.0002514767526264658, 0.0005995749418830358], [2.4679557478044805, 4.6250261453600325, 0.0002994049454588184], [2.4678239190224427, 0.0001108623853193624, 4.62532117001369]], calculator=SinglePointDFTCalculator(...))"
49038,HMoNNb,14.524250754256016,0.1259155942500012,6,0.8258820852204005,-0.5278805494308472,True,"Atoms(symbols='NbMoHN', pbc=True, cell=[[3.034916891854495, -2.5572696973085993e-07, 0.002229224372956983], [-2.5572696973085993e-07, 3.034928698429772, -9.428006353932908e-07], [-0.002769501514850416, -1.2971211356227955e-06, 4.201316993993227]], calculator=SinglePointDFTCalculator(...))"
122857,MoNbTc2,14.518736299604212,0.039364954999999924,10,0.9837628991326995,-0.0921554565429687,True,"Atoms(symbols='NbTc2Mo', pbc=True, cell=[[2.730023288182945, 5.239176704478122e-05, 0.001420710747399124], [-0.00010040949946146286, 4.363283587872749, -1.2136289261677831e-05], [-0.8327349256149689, 9.526779966504781e-07, 5.1009203236427]], calculator=SinglePointDFTCalculator(...))"
113343,HfMoNbTa,14.514260867182275,0.08832554687499972,47,1.1977438628588397,-0.0203036069869995,True,"Atoms(symbols='HfTaNbMo', pbc=True, cell=[[3.2761400020295928, -2.400593864173143e-07, 2.9877391134521573e-05], [-3.3341581446849206e-07, 4.599432894459822, 3.4675244704723176e-07], [-4.5594612628566296e-05, 3.534207633366016e-07, 4.679129026530365]], calculator=SinglePointDFTCalculator(...))"
8634,IrTc3,14.474061371177491,0.15920099000000043,47,0.9606396489160145,-0.1958839893341064,True,"Atoms(symbols='Tc3Ir', pbc=True, cell=[[2.696919557650746, 1.585690225036097e-05, 3.5839265940836447e-06], [-2.2268239422465043e-05, 3.8414959502553425, -8.072134742619829e-05], [-5.145941677609849e-06, 0.0001116269315788239, 5.414618389697751]], calculator=SinglePointDFTCalculator(...))"
11016,HfMoTc4,14.457760055200362,0.14607834000000608,1,1.108781968067097,-0.2346595525741577,True,"Atoms(symbols='HfTc4Mo', pbc=True, cell=[[5.104099649760756, -0.003062519903586669, -0.0003221126280065054], [2.5547850150784717, 4.418805642292975, 0.0013502972506801239], [2.5529500067145814, 1.4703991969433197, 4.167537372863352]], calculator=SinglePointDFTCalculator(...))"
324,GeIrNb6,14.455117704072677,0.049517807187498875,200,1.0652618781908143,-0.3496663570404053,True,"Atoms(symbols='Nb6GeIr', pbc=True, cell=[[5.109344646714217, 1.004941508096475e-06, -1.3675492687498425e-06], [1.004941508096475e-06, 5.109351997291537, 8.96159179900465e-07], [-1.3675492687498425e-06, 8.96159179900465e-07, 5.109340404203417]], calculator=SinglePointDFTCalculator(...))"
96989,Ir2MoTi,14.428261330941675,0.07369929875000025,25,1.0956042295317232,-0.5745041370391846,True,"Atoms(symbols='TiMoIr2', pbc=True, cell=[[2.7876432455509352, 2.8134978900384397e-09, 3.821574184039212e-05], [5.626995780076879e-09, 4.413979944470972, -9.256408058226465e-07], [-0.00012456480558356188, -9.959782530736077e-07, 4.762640647589003]], calculator=SinglePointDFTCalculator(...))"
116524,OsRe2Tc,14.4149002725902,0.13652121916666715,47,1.037623301498005,-0.0681766271591186,True,"Atoms(symbols='Re2TcOs', pbc=True, cell=[[2.7265782236929814, 2.3668028066298164e-05, -1.2800674243908992e-05], [-3.225780925535844e-05, 3.849753280895606, -8.016394705071061e-05], [2.4841239604143526e-06, 0.00011161207510389408, 5.462045975860891]], calculator=SinglePointDFTCalculator(...))"
38406,Cr2IrRu,14.401815120853701,0.1169574433333338,123,0.9748302617153447,-0.0596787929534912,True,"Atoms(symbols='Cr2IrRu', pbc=True, cell=[[3.728360505878022, 2.0075720387438635e-06, -0.00020854266617097842], [-1.9473072120648733e-06, 3.7283593721459707, 0.0005596945115744524], [0.00019459135879479217, -0.0005224131831701621, 3.6286934356832217]], calculator=SinglePointDFTCalculator(...))"
56250,OsRu2Tc,14.398343235789385,0.1564161858333346,139,0.9507887775627939,-0.0502048730850219,True,"Atoms(symbols='TcOsRu2', pbc=True, cell=[[3.7964698841072453, 0.00016190571048996566, 0.000240746220670518], [-9.71946115089222e-05, 3.7964782570916604, 0.00024467296701090595], [-1.8974977489053053, -1.8976357694554193, 3.796456682905541]], calculator=SinglePointDFTCalculator(...))"
82040,GePbZr6,14.374960720747618,0.14897280546875002,200,1.3096145926905582,-0.3241913318634033,True,"Atoms(symbols='Zr6GePb', pbc=True, cell=[[5.520826157691903, 3.700001780955846e-05, -4.4887098900605654e-05], [-0.00015733386196283716, 5.520806210973364, 9.663350061977075e-07], [0.00013431498011000042, -1.5863534205788956e-05, 5.520770735865709]], calculator=SinglePointDFTCalculator(...))"
25643,HHf3Zr,14.374451375414983,0.17761071900000047,123,1.5517668995589688,-0.2020260095596313,True,"Atoms(symbols='Hf3ZrH', pbc=True, cell=[[4.45920494999968, -5.9536203289260135e-05, 5.9101797610475546e-05], [5.1210094445888657e-05, 4.458813849137, 1.875184513420187e-05], [-5.0486084981247656e-05, -1.5222298994077e-05, 4.458730262244307]], calculator=SinglePointDFTCalculator(...))"
37936,Ir2Nb2RuW,14.368802718740591,0.07703361277777532,10,1.796726420903488,-0.3170225620269775,True,"Atoms(symbols='Nb2Ir2RuW', pbc=True, cell=[[2.825930853940837, -9.894987835698275e-06, 2.118637649956912e-05], [4.1225300679266925e-05, 4.804050388276145, -0.01353052597627689], [-8.357516186154989e-05, -1.6122441523940214, 6.726693684756519]], calculator=SinglePointDFTCalculator(...))"
40055,MoReSiTc,14.360764021872273,0.18090440916666672,99,1.0224674688305893,-0.2054065465927124,True,"Atoms(symbols='ReSiTcMo', pbc=True, cell=[[2.859243914092222, -3.28629754828121e-06, -3.167241330084706e-05], [3.2055814681479868e-06, 2.8592436114069213, -2.0922761057390367e-05], [4.33474177486882e-05, 4.815867266805779e-05, 6.831424364230659]], calculator=SinglePointDFTCalculator(...))"
69236,H2Nb8,14.350012969290786,0.09169665800000004,5,1.2810264864843524,-0.0059990882873535,True,"Atoms(symbols='Nb8H2', pbc=True, cell=[[5.28439374786304, -0.005303830831618406, 0.046468154716201006], [0.03774442341011964, 5.312965933348958, -0.0052559074579107395], [-0.07601812599923206, 0.03809063669482625, 5.283903839479823]], calculator=SinglePointDFTCalculator(...))"
106859,HTa2Ti2,14.334385307854154,0.18910211800000098,6,1.1782810416045764,-0.2554880380630493,True,"Atoms(symbols='Ta2Ti2H', pbc=True, cell=[[4.7189315203175966, -3.837058122722033e-05, 0.004405600451728171], [-2.6013144382180717e-05, 3.2047605934053065, -3.407005955963412e-05], [-0.36807607937466785, -4.693821318428718e-05, 4.677774463567752]], calculator=SinglePointDFTCalculator(...))"
36670,RhTc3,14.332936536982128,0.17298034124999973,123,0.94796454764088,-0.1544574499130249,True,"Atoms(symbols='Tc3Rh', pbc=True, cell=[[2.696968925711425, -0.00034728626373307545, -3.2816229493193145e-05], [0.0003428973346744986, 2.696968702453247, -2.3292362342509533e-05], [9.46914167048672e-05, 6.718982091039745e-05, 7.634121427256764]], calculator=SinglePointDFTCalculator(...))"
82253,Mo4Tc2,14.322527481717037,0.0086559649999991,12,0.9374675523977423,-0.0328654050827026,True,"Atoms(symbols='Tc2Mo4', pbc=True, cell=[[5.14696601564105, 0.004255491338026031, 0.0080792468537393], [1.867653672064942, 3.9712800516346016, -0.0015633163858516407], [2.3313430665390977, 1.3301280837248468, 4.390994061343782]], calculator=SinglePointDFTCalculator(...))"
64034,Re2Ru,14.311966497047793,0.16841230500000037,71,1.0285074370268474,-0.0587638616561889,True,"Atoms(symbols='Re2Ru', pbc=True, cell=[[2.700978248148798, -0.0005474877682372112, -0.0013504197508581754], [0.0008034018002483086, 3.857442155404151, 0.0011193842011136706], [-1.350383815272679, -1.9298430636548756, 4.0973306589795655]], calculator=SinglePointDFTCalculator(...))"
185747,MoOsRuV,14.307801350745223,0.18257321083333444,25,1.0603482814009522,-0.1179001331329345,True,"Atoms(symbols='VMoOsRu', pbc=True, cell=[[2.864517867680747, 0.0023386554095523315, -0.0015675749479366426], [0.005675442072642983, 4.44810307177391, 0.20987651977516777], [-0.006269623340280358, 0.27118582216799475, 4.402826145785972]], calculator=SinglePointDFTCalculator(...))"
3605,HMoNbTi2,14.282048515823744,0.1406990720000003,6,0.9886057933353402,-0.2089046239852905,True,"Atoms(symbols='Ti2NbMoH', pbc=True, cell=[[3.187639596445003, 2.770921221309629e-05, 1.5305299226629433e-05], [-2.2211507189790466e-05, 4.624395615635808, -0.03904548970734833], [2.6323427062593583e-05, -0.036968843601042085, 4.573307409565705]], calculator=SinglePointDFTCalculator(...))"
64238,Mo5NbOs2,14.275565994258931,-0.037583635000000726,115,1.0462818752793959,-0.0356369018554687,True,"Atoms(symbols='NbMo5Os2', pbc=True, cell=[[4.973968374765316, -5.218768711492454e-07, 1.1275551244926482e-05], [-5.218768711492454e-07, 4.973967135307746, -7.632449240557712e-06], [-3.91407653361934e-05, -7.69768384945137e-06, 4.968773883364425]], calculator=SinglePointDFTCalculator(...))"
149544,Re4Ta2,14.270468330395813,0.0904191816666664,9,1.4328933349963688,-0.1187158823013305,True,"Atoms(symbols='Ta2Re4', pbc=True, cell=[[5.151398305210118, -0.003572809002561061, 0.0044581143027003865], [2.57908858870209, 4.459461647144539, 0.006696349061326837], [2.572807879005221, 1.4807876904026738, 4.209924266530871]], calculator=SinglePointDFTCalculator(...))"
65,OsRuTaTc,14.208792463134984,0.17795035583332997,47,1.1789918477439625,-0.0509126186370849,True,"Atoms(symbols='TaTcOsRu', pbc=True, cell=[[3.848371060524723, -9.896834340322261e-05, 6.460347267256957e-05], [9.027328969977035e-05, 3.8875790839316395, -3.6228096524249943e-05], [-5.970474152357103e-05, 3.327798901772151e-05, 3.9231279104390704]], calculator=SinglePointDFTCalculator(...))"
33668,IrMo6Tc,14.20391574374019,-0.011301141249999702,2,1.0256397644401152,-0.0884015560150146,True,"Atoms(symbols='TcMo6Ir', pbc=True, cell=[[4.94707415270511, 0.004830428303929285, -0.0010298847683817421], [-0.004907832073257239, 4.947069941477023, 0.002087396989272276], [0.0009789957692599852, -0.0021414693574929333, 4.9470750308758955]], calculator=SinglePointDFTCalculator(...))"
108544,OsRe3,14.179712100254402,0.1564982537499997,47,1.0747295478896512,-0.0584645271301269,True,"Atoms(symbols='Re3Os', pbc=True, cell=[[2.735688593329976, 7.993284820687022e-08, -1.8486538376671673e-05], [1.1300850953385101e-07, 3.8629314943343536, 8.268915331745194e-08], [7.19230255555197e-05, 1.1852111975501447e-07, 5.480966540274277]], calculator=SinglePointDFTCalculator(...))"
57225,MoNbTc3,14.172218713788341,0.05201393199999771,8,0.974983549853769,-0.1161016225814819,True,"Atoms(symbols='NbTc3Mo', pbc=True, cell=[[3.1070249225491136, 0.00031086871679243986, -0.0004311689472962293], [1.5540061842758301, 4.906363292385533, 0.0010803043960659676], [1.5528336850734972, 0.03604160850094922, 4.916989249323564]], calculator=SinglePointDFTCalculator(...))"
43781,Nb4Ta2,14.113617961482515,0.02061585500000085,63,1.10577324313368,-0.0023537874221801,True,"Atoms(symbols='Ta2Nb4', pbc=True, cell=[[3.2763115409060584, 3.9445224328123805e-05, 0.006965681449890616], [-5.4045101637288004e-05, 4.641405688224547, 5.559835068950189e-05], [-1.6359726075536156, -7.556822151679015e-05, 6.931422105965398]], calculator=SinglePointDFTCalculator(...))"
2220,Nb6SbSi,14.027308771378598,0.091312404583336,200,0.9251616500840697,-0.2812405824661255,True,"Atoms(symbols='Nb6SiSb', pbc=True, cell=[[5.157756158726719, 5.225257884595963e-07, 6.897340407666671e-07], [5.225257884595963e-07, 5.157751978520411, -7.952842500355055e-06], [6.897340407666671e-07, -7.952842500355055e-06, 5.157755928815372]], calculator=SinglePointDFTCalculator(...))"
156207,HHfHgNb2,13.96165521399353,0.17604764749999902,99,1.3174042931238317,-0.3527047634124756,True,"Atoms(symbols='HfNb2HgH', pbc=True, cell=[[4.108274339633336, -1.663872403454393e-08, 1.7470660236271125e-07], [-1.663872403454393e-08, 4.107995616047671, 4.1596810086359824e-08], [1.8718564538861922e-07, 4.1596810086359824e-08, 4.52533245578748]], calculator=SinglePointDFTCalculator(...))"
34766,Mo5NbSiTc,13.960642216365546,0.03288757993750124,25,0.9181150602830503,-0.1754354238510131,True,"Atoms(symbols='NbSiTcMo5', pbc=True, cell=[[4.942429172025471, -4.608224654057719e-05, 6.073934829246345e-07], [4.5967737933140567e-05, 4.951075477998525, -4.0326944358110973e-07], [7.368379956790648e-07, -4.281626191108079e-07, 4.9463038047539385]], calculator=SinglePointDFTCalculator(...))"
139295,Mo2NTc2,13.951736416021255,0.09756184849999983,65,0.9292598158560147,-0.1064956188201904,True,"Atoms(symbols='Tc2Mo2N', pbc=True, cell=[[2.9637152619094493, 1.5869609781818242e-06, -6.264319650717727e-08], [-1.4825556506698619e-06, 4.706202768163744, 0.008213641690599996], [-3.7287616968557895e-07, 0.8005363204445447, 4.637692326347443]], calculator=SinglePointDFTCalculator(...))"
31206,InNb6P,13.930523363745596,0.19139291718749973,200,1.031347271982943,-0.1432633399963379,True,"Atoms(symbols='Nb6InP', pbc=True, cell=[[5.143232793210467, 0.00010325382613334441, 0.00037014371084861095], [-8.807480951055925e-05, 5.14322765007975, 0.0004225139262756773], [-0.00032537343604676733, -0.000377561085981807, 5.143268497804551]], calculator=SinglePointDFTCalculator(...))"
49048,HLa3Sn,13.92976661798143,0.1505300602499986,221,1.6465179226438842,-0.6322125196456909,True,"Atoms(symbols='La3SnH', pbc=True, cell=[[4.999706660545107, -8.127888744853494e-05, 5.8193850054787516e-05], [0.0003222942149791969, 4.999683122260785, -5.330489441878542e-05], [-0.0002318892770101247, 0.00021304642716303326, 4.999637553120127]], calculator=SinglePointDFTCalculator(...))"
10224,HHfTi3,13.921792515476142,0.1751542980000007,38,1.4657682602879873,-0.2180107831954956,True,"Atoms(symbols='HfTi3H', pbc=True, cell=[[3.0827626208057755, 0.0037283801271144764, 0.003221578429335972], [0.0059329928003989795, 4.905117395866923, -0.030165168979508973], [0.005879594644505553, 0.17398177849729024, 4.963645171428271]], calculator=SinglePointDFTCalculator(...))"
107333,AsInNb6,13.871058266161088,0.09357630781249782,200,1.0612142563572597,-0.1382466554641723,True,"Atoms(symbols='Nb6InAs', pbc=True, cell=[[5.182323299633088, 2.9171721016985648e-05, 0.00024088737783586528], [-0.0001652416164018699, 5.182389718891981, -0.00030528899608247786], [-0.000220521817558157, 0.00012500439746309538, 5.182199514226849]], calculator=SinglePointDFTCalculator(...))"
10075,MoTa2Ti,13.870065495632407,0.06959016749999947,47,1.087484402249223,-0.0357818603515625,True,"Atoms(symbols='Ta2TiMo', pbc=True, cell=[[3.2138355063210686, 9.08398825078227e-08, -5.190850429018441e-08], [1.29771260725461e-07, 4.536196367218519, 3.89313782176383e-07], [-7.137419339900355e-08, 3.89313782176383e-07, 4.549686556947469]], calculator=SinglePointDFTCalculator(...))"
7510,MoNbTc2,13.844707306749662,0.02510196250000085,47,0.9670688135534479,-0.1546410322189331,True,"Atoms(symbols='NbTc2Mo', pbc=True, cell=[[3.1106731772222904, -8.55441221503488e-05, 7.549953780783185e-06], [0.00012769173913157092, 4.468335553130152, -0.00022090535599756536], [-1.0802725534670607e-05, 0.0002044967897806632, 4.371108519250113]], calculator=SinglePointDFTCalculator(...))"
32173,IrNb6Sn,13.833791193998785,0.05710339125000097,146,1.1220182351534895,-0.2797387838363647,True,"Atoms(symbols='Nb6SnIr', pbc=True, cell=[[5.18121466656797, 0.00030714899818634996, -8.106422383941751e-05], [-0.00038635378217355767, 5.181220922480015, -5.571491105194723e-05], [0.000131579006491117, 0.00010026793033568592, 5.181211231331633]], calculator=SinglePointDFTCalculator(...))"
122747,IrNb6Sn,13.81970822653762,0.05709425000000046,25,1.1214118360365122,-0.2796933650970459,True,"Atoms(symbols='Nb6SnIr', pbc=True, cell=[[5.181244603378118, -0.00014701131368882544, 0.00019315393426492215], [0.00015867304156666408, 5.18121970926622, 9.5069347357263e-05], [-0.00020003015128838646, -0.00013095805224978268, 5.181195104071004]], calculator=SinglePointDFTCalculator(...))"
1507,H2CrMo,13.810025113935836,0.11801507750000084,12,0.8035598847225967,-0.023080825805664,True,"Atoms(symbols='CrMoH2', pbc=True, cell=[[2.7836684151816367, -0.00039415515152914284, 4.6247425711991754e-05], [1.3919907489771535, 2.4102183793098915, 0.002692893434553184], [1.3913981924533703, 0.7982526758907704, 4.531678985984845]], calculator=SinglePointDFTCalculator(...))"
5289,Ir2MoNb2Os,13.800552241212037,0.08023421833333266,10,1.2913392638018468,-0.3456639051437378,True,"Atoms(symbols='Nb2MoIr2Os', pbc=True, cell=[[2.821287433552061, 7.901754765712025e-05, -4.607537677839932e-05], [1.2573062603432285e-05, 4.80931377428944, -0.0011531828028953845], [-4.426568305206568e-06, -1.506311192136884, 6.7530396111694335]], calculator=SinglePointDFTCalculator(...))"
89663,Ir2MoNb2Os,13.798867821333676,0.07939429999999881,2,1.2911258501388017,-0.3461282253265381,True,"Atoms(symbols='Nb2MoIr2Os', pbc=True, cell=[[2.821315418347097, 0.0014148776468062025, -0.0006343166194369687], [-0.002436385715298012, 4.809375110764089, -0.016330926714726083], [0.0023154332032853104, -1.4850867366251153, 6.7575606808166855]], calculator=SinglePointDFTCalculator(...))"
2892,Os2RuV,13.78956804943488,0.0903043125000007,123,0.9495589869804475,-0.0864342451095581,True,"Atoms(symbols='VOs2Ru', pbc=True, cell=[[3.794216759929528, 2.5047826925677476e-06, -7.345572521083057e-06], [-1.7414568796719103e-06, 3.783312435887057, 2.8676501393011458e-05], [7.199811813092898e-06, -3.131937317735936e-05, 3.7831709252544474]], calculator=SinglePointDFTCalculator(...))"
56863,IrRe2Ru,13.76577824554422,0.08168598000000138,123,1.1405637068583632,-0.1458629369735717,True,"Atoms(symbols='Re2IrRu', pbc=True, cell=[[3.841696823386246, 5.09158362136429e-05, 4.9204542579757035e-05], [-8.079168584467993e-06, 2.7095468644392033, -2.7095101744589125], [-6.53861626552765e-05, 2.7096345051800683, 2.709616988673349]], calculator=SinglePointDFTCalculator(...))"
2507,MoNbTc2,13.75522050948704,0.04172305250000008,6,0.932294301580842,-0.0881718397140502,True,"Atoms(symbols='NbTc2Mo', pbc=True, cell=[[2.736881400155282, 4.206033625777972e-05, 0.003582214849277102], [-6.787796112287004e-05, 4.4016931997335496, -0.00011235211782477745], [-0.972556430186623, 0.00011785318967505702, 5.049203055772763]], calculator=SinglePointDFTCalculator(...))"
37418,H2CrMo,13.740057849835015,0.12241284750000059,123,0.8102098365784285,-0.0337793827056884,True,"Atoms(symbols='CrMoH2', pbc=True, cell=[[2.792884227484628, -2.0704751826102012e-05, 1.0780769654588607e-07], [1.943091878007299e-05, 2.7928915073411895, 1.1915587512966355e-07], [1.4752632158910725e-07, 1.6454858946477348e-07, 3.9164680529328835]], calculator=SinglePointDFTCalculator(...))"
12558,PbSbZr6,13.705834712158405,0.0894037434374999,200,1.3470023694067392,-0.3547875881195068,True,"Atoms(symbols='Zr6SbPb', pbc=True, cell=[[5.585030232086597, 2.3118952002571455e-05, -1.7512987596179157e-05], [-0.0001668791622185126, 5.58498978098456, -3.437043903193341e-05], [3.320064605600276e-05, 9.655595549155117e-05, 5.585073667008399]], calculator=SinglePointDFTCalculator(...))"
22629,HHfNb2Ti,13.702656400086914,0.15706159199999803,6,1.0981226964339974,-0.1579921245574951,True,"Atoms(symbols='HfTiNb2H', pbc=True, cell=[[4.788849338773821, 5.699869677034728e-05, -0.008844364824284764], [4.436409065859698e-05, 3.3147160824249284, -2.2293512893767325e-07], [-0.10871609910748786, 0.0001974672136644673, 4.755725840865728]], calculator=SinglePointDFTCalculator(...))"
4462,HfTa4Zr,13.695107888440525,0.11505026166666532,216,1.8756790566033403,-0.096514344215393,True,"Atoms(symbols='HfZrTa4', pbc=True, cell=[[5.491086694211884, -1.7227156331770573e-07, -1.0080665027687683e-05], [2.745525436420504, 4.755434987247361, 5.312632726829893e-06], [2.7456232033112604, 1.585056327760719, 4.483514949815817]], calculator=SinglePointDFTCalculator(...))"
112133,Mo3NbOs2,13.613499002067185,0.1569603050000019,2,1.365095819349387,-0.0480303764343261,True,"Atoms(symbols='NbMo3Os2', pbc=True, cell=[[2.7261050076265367, -0.0650065891157135, 0.012060883097630598], [-1.0833519840089665, 5.200057897204863, -0.05326254079612243], [-1.6624367252510672, -1.263252851509415, 6.491376733986246]], calculator=SinglePointDFTCalculator(...))"
24670,CrIrRe2,13.608163773657735,0.1444107625000015,25,0.9839786538552268,-0.1640316247940063,True,"Atoms(symbols='CrRe2Ir', pbc=True, cell=[[2.690861592166878, -9.795160146017317e-08, -0.0008721556176457452], [-1.3876476873524532e-07, 3.7859688060524714, 4.829558127550205e-06], [-2.688013747306025, 6.989935115310691e-06, 5.4012571851758295]], calculator=SinglePointDFTCalculator(...))"
3217,Os2ReTc,13.548438679687496,0.12280430749999915,123,0.9671309332849043,-0.061716079711914,True,"Atoms(symbols='ReTcOs2', pbc=True, cell=[[3.837275699165189, 1.7043651397478578e-07, 1.3170094261687993e-07], [1.7043651397478578e-07, 3.8372803009510665, -1.9367785678952933e-08], [1.3170094261687993e-07, -1.9367785678952933e-08, 3.842693147715706]], calculator=SinglePointDFTCalculator(...))"
6155,HfRe4Y,13.533830864497608,0.09987329249999988,8,1.1396415479170834,-0.3000162839889526,True,"Atoms(symbols='YHfRe4', pbc=True, cell=[[5.304929269971925, 0.006165986885457558, 0.004234151050181877], [2.647433606741849, 4.597856642936198, -0.0028324705001766294], [2.64749072222361, 1.5400275080771821, 4.33219751927849]], calculator=SinglePointDFTCalculator(...))"
171337,HNb6Si2,13.521287587943315,0.12129410592592649,115,0.8929220553393773,-0.3173726797103882,True,"Atoms(symbols='Nb6Si2H', pbc=True, cell=[[5.123948457415257, 0.00011698047151189932, -7.580388440532785e-06], [-0.00018397079423756465, 5.105680239413589, 5.3886561709870795e-06], [-7.601114041190429e-06, 5.3886561709870795e-06, 5.105692638504183]], calculator=SinglePointDFTCalculator(...))"
1013,ReRuTc2,13.512005253736923,0.11809521583333193,119,0.932690052028845,-0.0592124462127685,True,"Atoms(symbols='ReTc2Ru', pbc=True, cell=[[3.825238888713708, -0.00026228943613143915, 0.00015339789463644017], [-0.0002593166835361139, 3.825260161267994, -0.000378072358642874], [-1.9134222728720394, -1.9128884630238605, 3.834635639985284]], calculator=SinglePointDFTCalculator(...))"
128764,Tc5Ti,13.454936319222348,0.11099113999999943,12,0.9910398192898301,-0.167822003364563,True,"Atoms(symbols='TiTc5', pbc=True, cell=[[5.084834346973297, 0.005964721050602597, -0.003298406870648722], [3.2824523126051384, 3.883436027602442, -0.0032388328356023396], [2.8126316227462884, 1.3073391605564297, 4.314934846941072]], calculator=SinglePointDFTCalculator(...))"
50304,GaMo5OsTc,13.449005090966702,0.006424118125000433,1,0.9845746649005959,-0.1014666557312011,True,"Atoms(symbols='GaTcMo5Os', pbc=True, cell=[[4.924552742443, -0.004994908686467128, -0.012117812239888722], [0.0051661308948354025, 4.922333031162906, -0.0009419285576928215], [0.012391524058297276, 0.0009834446585860672, 4.900420318823104]], calculator=SinglePointDFTCalculator(...))"
42166,Ir2MoNb2Os,13.416829462579798,0.18057064833333314,8,1.2082392779275266,-0.3389729261398315,True,"Atoms(symbols='Nb2MoIr2Os', pbc=True, cell=[[3.9036681563556086, -0.0005481627956415485, -0.00012415594267028093], [-3.9027291523506222, 5.57639045530666, 0.0004746889251865642], [1.9515913070029878, -1.284717296576847, 4.256822639869732]], calculator=SinglePointDFTCalculator(...))"
141955,HNb2Zr2,13.40392604542004,0.16660331099999937,1,1.0158427532030625,-0.172419786453247,True,"Atoms(symbols='Zr2Nb2H', pbc=True, cell=[[3.017418515379188, 0.004380352136566973, -0.006288052134315123], [-0.009048226309918434, 4.910171690140093, -3.287384204820137e-05], [-1.2127220380724462, 0.3656623596990667, 5.492482592364056]], calculator=SinglePointDFTCalculator(...))"
70314,RhZr7,13.39184169690158,0.08916884812500037,6,1.4198358386064958,-0.1913164854049682,True,"Atoms(symbols='Zr7Rh', pbc=True, cell=[[5.782451415845805, 0.0034332511466407326, -0.019204903559896937], [-0.0019001521703258097, 4.847952271555826, -0.0010233208468145379], [1.3867014736550292, 0.001817807694068083, 5.898552545159969]], calculator=SinglePointDFTCalculator(...))"
60415,Nb6Si2Zr4,13.361774301283837,0.1501250874999993,4,1.0560535436103573,-0.3232365846633911,True,"Atoms(symbols='Zr4Nb6Si2', pbc=True, cell=[[5.321128274061989, -0.00031054649907800937, 1.4490469452443772e-06], [-2.6602827207172295, 4.608306528488271, 1.95377116212725e-07], [2.3445253945527e-06, 1.720404051095384e-06, 9.046393322368711]], calculator=SinglePointDFTCalculator(...))"
187728,IrMo2Re4V,13.341404825366624,0.16358140731249726,6,1.259659285881153,-0.0628684759140014,True,"Atoms(symbols='VRe4Mo2Ir', pbc=True, cell=[[4.917728641199423, 1.97431156858995e-06, -4.540419300056987e-06], [1.4959015612893118e-05, 4.878190157707596, -0.018689211262124385], [3.3468808203048768e-06, 0.014891620473403117, 4.8876262182246695]], calculator=SinglePointDFTCalculator(...))"
171261,Re3V,13.33509779844084,0.11243028166666846,10,1.0688304292696498,-0.0729889869689941,True,"Atoms(symbols='VRe3', pbc=True, cell=[[2.6870485618606734, 5.021748669088158e-07, 0.010886095190133246], [7.926219520939146e-07, 4.247704936783573, -1.4576643434055894e-06], [-1.051174442959456, -1.927265705433833e-06, 4.978609475583751]], calculator=SinglePointDFTCalculator(...))"
24855,OsRu2Tc,13.320681234550378,0.1557212233333356,123,0.9014291054727623,-0.0452330112457275,True,"Atoms(symbols='TcOsRu2', pbc=True, cell=[[3.798388465160751, -8.073171636191878e-08, -3.0754939566445253e-08], [-8.073171636191878e-08, 3.798398464360477, -3.844367445805657e-09], [-3.0754939566445253e-08, -3.844367445805657e-09, 3.7937353466022685]], calculator=SinglePointDFTCalculator(...))"
11135,H2Hf4Nb4,13.248098425222302,0.18125454899999838,1,1.3082762738572529,-0.1620697975158691,True,"Atoms(symbols='Hf4Nb4H2', pbc=True, cell=[[3.481494774788497, 3.755556166768768e-05, 0.00047209462518822367], [-5.611338738879805e-05, 6.764998647085254, -0.0413811025845999], [-0.0009423125365919956, 0.053316693607022916, 6.842508121945581]], calculator=SinglePointDFTCalculator(...))"
3763,HHfNb3,13.221550557108886,0.14176977900000054,38,1.0457699797634237,-0.0762379169464111,True,"Atoms(symbols='HfNb3H', pbc=True, cell=[[4.805989064217501, 0.0005463484244589938, 0.006965146900520805], [-9.437635042506994e-05, 3.317191587830424, 0.00032873836760683866], [-0.11387447425671045, -5.508246961706536e-05, 4.804702471820778]], calculator=SinglePointDFTCalculator(...))"
12697,HNb2TaZr,13.21859742432196,0.18743467300000027,6,1.0546295025137022,-0.1917380094528198,True,"Atoms(symbols='ZrTaNb2H', pbc=True, cell=[[4.856749743544174, -0.00010457608751103829, 0.014738281853871962], [9.444661655157893e-05, 3.312121436400571, 8.166547738077977e-06], [-0.14188067587468856, 3.6001684546538937e-05, 4.793742909098144]], calculator=SinglePointDFTCalculator(...))"
197225,Mo3N,13.199621390688163,0.15660837062499944,5,0.8937900774567539,-0.3052957057952881,True,"Atoms(symbols='Mo3N', pbc=True, cell=[[2.980201155527666, 0.09960241447605678, -0.1229588867447157], [1.4049052488348175, 2.459007861202236, -0.13394700526229725], [1.6462747744817163, 1.9402136737672186, 6.978995201191948]], calculator=SinglePointDFTCalculator(...))"
87144,BeTi4,13.165149849578185,0.14430075400000053,12,1.324569552065423,-0.0930633544921875,True,"Atoms(symbols='Ti4Be', pbc=True, cell=[[2.8955412743395006, 0.0006072657165094009, 0.0003454901111424987], [1.4470141822751963, 5.370613847854807, 0.021830639547070704], [1.4465202297660076, 0.48261307665421915, 4.8413501258201626]], calculator=SinglePointDFTCalculator(...))"
14887,NZr3,13.146018457928017,0.15520890375000107,1,1.3045579293291967,-1.101970076560974,True,"Atoms(symbols='Zr3N', pbc=True, cell=[[3.2164143274499404, -0.0004950484577988045, 0.0025768874917339447], [1.605704378423976, 2.785850309423929, -0.003933176611541676], [1.5931634589210697, 0.9420581892608223, 7.897341627328299]], calculator=SinglePointDFTCalculator(...))"
13259,NbTc2W,13.11259215144359,0.06328143750000059,47,0.9485028335115877,-0.1616642475128173,True,"Atoms(symbols='NbTc2W', pbc=True, cell=[[3.110751140421999, 2.653772703508782e-07, 7.597056214437581e-05], [3.8226963943400317e-07, 4.510447376279102, 1.4216639483082762e-07], [-0.00010568965717045572, 1.3584788839390196e-07, 4.354779862271121]], calculator=SinglePointDFTCalculator(...))"
111723,HNb8,13.098405246297187,0.02502019777777953,115,1.000699291191965,-0.0007077455520629,True,"Atoms(symbols='Nb8H', pbc=True, cell=[[3.2993260389907686, -2.9789178538175166e-05, -1.141996767873074e-05], [-4.806448070598832e-05, 4.662718859390182, -4.662714445681676], [-9.041730063168929e-05, 4.662654555413588, 4.662650141705082]], calculator=SinglePointDFTCalculator(...))"
46616,Tc3Ti,13.091237657135755,0.12140936249999967,10,0.9089081509673389,-0.2707116603851318,True,"Atoms(symbols='TiTc3', pbc=True, cell=[[2.717726671840591, -2.740441536773378e-07, -0.006614916147645095], [-4.357302043469672e-07, 4.269500524610422, 5.480883073546757e-09], [-0.9822715982247311, 9.591545378706825e-08, 4.9233335014040325]], calculator=SinglePointDFTCalculator(...))"
31261,CrTcW,13.07129108720114,0.11415127666666791,107,0.8492474990981875,-0.0536342859268188,True,"Atoms(symbols='CrTcW', pbc=True, cell=[[3.01863238866878, -0.0002463276475451207, 0.0005350002110599705], [-0.0001417546472700929, 3.0186347961575093, 0.0006760674408630223], [-1.5097547239057199, -1.5099078469103004, 4.516725212729642]], calculator=SinglePointDFTCalculator(...))"
174647,IrOsReTc,13.061658947736117,0.1584309724999997,10,0.9442635463675522,-0.1348260641098022,True,"Atoms(symbols='ReTcIrOs', pbc=True, cell=[[2.7096695312344807, 5.38888212848768e-05, 0.00010406154957707283], [-9.641318439699713e-05, 4.7101548187944715, 0.01829347476841616], [-0.0001385024526741865, -1.5781433805134162, 4.4216468132619475]], calculator=SinglePointDFTCalculator(...))"
12044,IrMo3OsRu,13.05161194480277,0.06430742722222327,6,1.05252001691375,-0.006259799003601,True,"Atoms(symbols='Mo3IrOsRu', pbc=True, cell=[[3.852230725231068, 1.1557366005036094e-06, 5.661945849245703e-05], [-9.967258601658644e-07, 3.830154651376882, -0.0010679355236619947], [8.661431375519165e-05, 1.9160277231876628, 5.941154607740932]], calculator=SinglePointDFTCalculator(...))"
22268,Tc5Ti,12.98462713312635,0.11108240999999985,5,0.9409213048746262,-0.1683632135391235,True,"Atoms(symbols='TiTc5', pbc=True, cell=[[5.050519943403605, 0.007006167176736849, 0.012800610462957135], [1.8046779814303857, 3.8767014401437425, -0.0010508120320680415], [2.275373791677383, 1.3008060058507744, 4.3566709509751425]], calculator=SinglePointDFTCalculator(...))"
80720,OsRuVW,12.965294679562254,0.13182592791666536,99,1.1210416943229722,-0.1692417860031128,True,"Atoms(symbols='VOsRuW', pbc=True, cell=[[2.8604603060207743, 6.0636279075541756e-05, -8.536478259176365e-05], [-6.036171060498998e-05, 2.8604596759583893, 4.495986450424822e-05], [0.0002280825833901551, -0.00012034191554563429, 6.843744724792276]], calculator=SinglePointDFTCalculator(...))"
35214,AlMo6Tc,12.884758076372917,0.016524123125002177,200,0.9028793635817959,-0.1573449373245239,True,"Atoms(symbols='AlTcMo6', pbc=True, cell=[[4.943268600757631, -1.924708084340633e-06, -1.4769392087608695e-05], [-5.204689892318014e-05, 4.943267089911647, -6.088260546580087e-06], [-1.4769392087608695e-05, -6.088260546580087e-06, 4.943269478344736]], calculator=SinglePointDFTCalculator(...))"
9989,IrNbTc2,12.852331625569084,0.09421162458333576,123,1.0091664742392767,-0.2926084995269775,True,"Atoms(symbols='NbTc2Ir', pbc=True, cell=[[3.8747046302375088, -0.00012188800127002076, -4.514776699137693e-05], [0.00010823867636565098, 3.8747586163733247, 4.8505250183984536e-05], [4.153563221473257e-05, -4.457969807314111e-05, 3.9445327547100093]], calculator=SinglePointDFTCalculator(...))"
1750,CrNbTc2,12.844266384035443,0.07425338250000024,123,1.2440997762899502,-0.1720294952392578,True,"Atoms(symbols='NbCrTc2', pbc=True, cell=[[3.0540521566191954, -3.0877331248431192e-09, 1.6673758874152844e-07], [-3.0877331248431192e-09, 3.0540444866901133, 2.5010638311229266e-07], [3.3038744435821376e-07, 5.002127662245853e-07, 6.107128781010394]], calculator=SinglePointDFTCalculator(...))"
11647,ReSiTc2,12.841531977315693,0.02598484687499969,25,1.068815729710171,-0.2528263330459595,True,"Atoms(symbols='ReSiTc2', pbc=True, cell=[[2.9072233369874696, -1.0365942184719908e-06, 7.512396302409371e-07], [1.0307706554468672e-06, 2.9072946639874013, -0.00039684087878401873], [-1.5898327058587275e-06, 0.0008790813975499617, 6.387152045547236]], calculator=SinglePointDFTCalculator(...))"
120594,H2Nb7Ti,12.811889483444943,0.1424144459999983,6,0.9752472132954622,-0.018297791481018,True,"Atoms(symbols='TiNb7H2', pbc=True, cell=[[3.3040572900382656, 0.012497718682816655, -7.656256954621124e-06], [-0.16459858127043128, 6.6170260409886135, -3.01994940621445e-05], [1.0973409858373821e-05, 4.424880934036173e-05, 6.661155282044763]], calculator=SinglePointDFTCalculator(...))"
106374,IrRuTc2,12.781146693035701,0.10675362958333423,119,0.877920559611105,-0.1741635799407959,True,"Atoms(symbols='Tc2IrRu', pbc=True, cell=[[3.8209445701678235, -0.00012549389837720622, 0.0001375537306665476], [0.0002952790811667845, 3.8209553358117865, 8.855945831891978e-05], [-1.9103542000285267, -1.910098251176522, 3.7927513630940193]], calculator=SinglePointDFTCalculator(...))"
87962,ReTc,12.77899088910146,0.09261938999999941,65,0.9371422401570793,-0.0083187818527221,True,"Atoms(symbols='ReTc', pbc=True, cell=[[2.7288898654118583, -0.003575130136020576, 4.505173655409774e-06], [0.00375171029314466, 2.7288873379845775, 6.865210670236329e-05], [-5.924952477531554e-06, -9.093213779036774e-05, 3.8600808643177382]], calculator=SinglePointDFTCalculator(...))"
103153,HNb2TaTi,12.777001614581367,0.1586265900000008,6,0.9729679033892868,-0.1505259275436401,True,"Atoms(symbols='TaTiNb2H', pbc=True, cell=[[4.689656610834568, 8.280200487664536e-05, -0.07790991564447428], [2.216689708312194e-05, 3.2675271686982215, -7.239516920499069e-05], [0.12439453932252616, 5.254946360439423e-05, 4.676284197809239]], calculator=SinglePointDFTCalculator(...))"
18624,IrMo2NbOs2,12.775522162838616,0.04588192583333317,10,1.0044187462003713,-0.1405116319656372,True,"Atoms(symbols='NbMo2IrOs2', pbc=True, cell=[[2.799740989938539, 8.946326624825647e-05, 1.2713186060902459e-05], [-0.00014184238721598268, 4.781035568773063, 0.03504171987848403], [9.833497631575077e-06, -1.7717214431226758, 6.698728818413879]], calculator=SinglePointDFTCalculator(...))"
39404,InNb6Sb,12.74550236530398,0.066425275624999,200,1.0967983974995528,-0.1158490180969238,True,"Atoms(symbols='Nb6InSb', pbc=True, cell=[[5.252734282811107, -3.5922396297291808e-06, -6.0066084016391496e-06], [1.30205362246712e-05, 3.716209498216837, -3.7162127013860022], [-1.6671402910671925e-05, 3.716236301441018, 3.7162392061451697]], calculator=SinglePointDFTCalculator(...))"
1581,OsRuTaZr,12.714105528622989,0.04336193785713682,216,1.1250991499162704,-0.492472767829895,True,"Atoms(symbols='ZrTaOsRu', pbc=True, cell=[[4.513569417363495, 2.5942970807220285e-05, 8.354129361241706e-06], [2.256692030772053, 3.9089497395207693, 1.2154779147104261e-05], [2.2567493234003377, 1.302994742750113, 3.6853914492728657]], calculator=SinglePointDFTCalculator(...))"
11385,HfMoTa2,12.66728503138636,0.11487605687500135,47,1.197191612848936,-0.0091009140014648,True,"Atoms(symbols='HfTa2Mo', pbc=True, cell=[[3.2797872293905, -3.592316769880549e-05, -0.00013620344685065768], [4.7052940733316776e-05, 4.692330087933127, 7.765403530698197e-05], [0.0002273559246091128, -7.960975677816946e-05, 4.59569424618908]], calculator=SinglePointDFTCalculator(...))"
107387,NbTc4,12.661058990754945,0.10551413600000004,166,0.9456584434031071,-0.0575520992279052,True,"Atoms(symbols='NbTc4', pbc=True, cell=[[4.363642408147046, 6.291658263187473e-05, 0.0003381881899099846], [2.181891363834714, 4.6565406008704, 0.005424299739405369], [2.182118491421102, 1.0180115785920119, 3.6391980409978]], calculator=SinglePointDFTCalculator(...))"
73450,Nb3Ta3,12.659188963211577,0.02538545333333353,99,1.0401856722367944,-0.0066916942596435,True,"Atoms(symbols='Ta3Nb3', pbc=True, cell=[[3.27454328193834, 6.29916144609473e-06, -2.607660244395462e-05], [-1.1057568590139933e-05, 3.2745426908731123, -4.5883928762328405e-05], [-0.00021417148916722084, -0.0002674005655936302, 9.840669572294791]], calculator=SinglePointDFTCalculator(...))"
42336,IrMoRuTc,12.64864010707119,0.15153999208333246,10,0.8895425967905789,-0.1268125772476196,True,"Atoms(symbols='TcMoIrRu', pbc=True, cell=[[2.709685788476854, -3.485125864390359e-05, -4.005558942046833e-05], [6.120620825100071e-05, 4.692659445206267, 0.006756590045996282], [4.6677792991278254e-05, -1.5554290592937228, 4.450421279339368]], calculator=SinglePointDFTCalculator(...))"
59903,Mo3Tc,12.636486960109696,-0.01808909249999857,71,0.8464985244617503,-0.0369682312011718,True,"Atoms(symbols='TcMo3', pbc=True, cell=[[3.112083633611685, 0.00018335207836312086, -0.0021806711152585014], [-0.00023557943053224668, 4.39932514758695, 0.0011828225414942269], [-1.5556197185265264, -2.2008375650610206, 4.395393769484858]], calculator=SinglePointDFTCalculator(...))"
53710,NbOsReRu,12.63500682188444,0.1515902904166655,47,1.0570088389020675,-0.0558928251266479,True,"Atoms(symbols='NbReOsRu', pbc=True, cell=[[3.8468754124905833, 2.873404815163375e-07, 3.799883719079566e-05], [2.951064404762385e-07, 3.9403072414923894, 7.765958959901014e-09], [-3.5226389842111e-05, 7.765958959901014e-09, 3.9048585821388864]], calculator=SinglePointDFTCalculator(...))"
3233,CoTi2Zr,12.627125241788526,0.12175208374999968,123,1.0722347655612758,-0.2763868570327759,True,"Atoms(symbols='ZrTi2Co', pbc=True, cell=[[3.022626884701659, -5.317006608972109e-06, -1.1452484080209885e-05], [5.234548723594598e-06, 3.02262681140576, -3.6944186644879725e-05], [4.7318610223672526e-05, 0.00024222156529431644, 6.924371832212941]], calculator=SinglePointDFTCalculator(...))"
1642,Ir2Mo2Nb2,12.549328563645286,0.1318269983333309,10,1.172187012560409,-0.3673986196517944,True,"Atoms(symbols='Nb2Mo2Ir2', pbc=True, cell=[[2.99572048549499, 1.1562297013219597e-05, 7.592787636734697e-08], [1.7074660837488985e-05, 4.645142307531539, 0.011446306552165783], [-1.5200760848742864e-05, -3.0333947436447466, 6.73032941887537]], calculator=SinglePointDFTCalculator(...))"
56825,Mo4Nb2Os2,12.548435115487461,-0.009875071250000644,40,0.9252278152707492,-0.1006247997283935,True,"Atoms(symbols='Nb2Mo4Os2', pbc=True, cell=[[4.998193886290395, 0.0012330433436410142, 3.929772796480166e-06], [-0.007507084928334971, 4.99818659319854, 5.386368118727641e-06], [3.899427060600011e-06, 5.361080005494178e-06, 5.004749045714661]], calculator=SinglePointDFTCalculator(...))"
118277,IrOsTc2,12.547420043793393,0.15833870666666705,99,0.8820394642946542,-0.1184390783309936,True,"Atoms(symbols='Tc2IrOs', pbc=True, cell=[[2.705958865110909, -5.765547896583408e-05, -1.988430050163963e-05], [5.845662797878215e-05, 2.7059570148381886, 2.2197822651275376e-05], [6.028237572937809e-05, -3.097503683734928e-05, 7.682558804038995]], calculator=SinglePointDFTCalculator(...))"
24504,OsReRuTc,12.51968096989217,0.17230374416666905,99,0.8928199507156271,-0.0611857175827026,True,"Atoms(symbols='ReTcOsRu', pbc=True, cell=[[2.7095183961876237, 8.155041986676274e-05, -8.957639003338298e-05], [-8.205084662672577e-05, 2.7095184344716383, 4.670649759654978e-06], [0.0002123805700138196, 3.635614083993732e-05, 7.660500453237913]], calculator=SinglePointDFTCalculator(...))"
54241,IrRe2Tc,12.51079541831839,0.09751231416666784,10,0.9315737055992815,-0.1558716297149658,True,"Atoms(symbols='Re2TcIr', pbc=True, cell=[[2.7133076351709877, 4.387482790950485e-06, 2.337530551116361e-05], [-8.252841461607173e-06, 4.730313320890453, 0.01195579766177939], [-3.5602851008934026e-05, -1.5972719342165205, 4.452852304364343]], calculator=SinglePointDFTCalculator(...))"
37811,Cr2OsRh,12.508675235594822,0.16998011749999975,25,1.0034295333483279,-0.0156528949737548,True,"Atoms(symbols='Cr2OsRh', pbc=True, cell=[[3.6135171394363677, -0.0007396374281312678, 0.001442524379439982], [0.0007610864154943171, 3.733242834830955, 0.0008235138749855516], [-0.0014878253678350596, -0.0008225504882650079, 3.733219931674957]], calculator=SinglePointDFTCalculator(...))"
129334,HfRe4Y,12.508490294075624,0.09988739749999986,44,1.104213262675282,-0.3000160455703735,True,"Atoms(symbols='YHfRe4', pbc=True, cell=[[5.305821748613824, -0.00024592130938247685, -0.002715485157712202], [2.6528029612754405, 4.59387116400291, 0.005472806397036637], [2.655692543343765, 1.5238797966790694, 4.332661287648987]], calculator=SinglePointDFTCalculator(...))"
113289,Mo2NbRe2Tc,12.503036076251144,0.0705504855208332,65,0.91131330112104,-0.0636818408966064,True,"Atoms(symbols='NbRe2TcMo2', pbc=True, cell=[[3.120354915434212, 3.6774843259614504e-05, 4.518034155609361e-06], [-5.1492347403637176e-05, 4.393859253195114, -0.0015488029173533753], [-3.476017206252143e-05, 2.1973325245792, 6.671213691676131]], calculator=SinglePointDFTCalculator(...))"
78594,Re4TiY,12.47159230647371,0.17678286221490858,1,1.0418946774048097,-0.1975665092468261,True,"Atoms(symbols='YTiRe4', pbc=True, cell=[[5.259862871083898, 0.005981281378399037, -0.0010310343509618443], [2.624833941593724, 4.5581826598826805, -0.0014847852270894796], [2.6288631578681088, 1.5224538117373254, 4.293771804461207]], calculator=SinglePointDFTCalculator(...))"
20106,Al2Mo3Nb3,12.362179167554135,0.0015010044000014489,155,0.8796204326559482,-0.2619805335998535,True,"Atoms(symbols='Nb3Al2Mo3', pbc=True, cell=[[5.031520871052091, -0.003822795281904163, -0.003713332249699207], [0.017445303355264216, 5.031321395703011, 0.0036847231714131766], [0.017371955089143045, -0.01741073956125246, 5.031407116149627]], calculator=SinglePointDFTCalculator(...))"
31084,IrTi2Zr,12.360475706024312,0.17836540520833388,225,0.953541599638651,-0.275531530380249,True,"Atoms(symbols='ZrTi2Ir', pbc=True, cell=[[4.495372688826839, -2.690618315485669e-05, -1.0418525435343563e-05], [2.247768682611379, 3.893162014275867, -7.73018190707085e-05], [2.247746353300097, 1.2979301444475317, 3.670424067820894]], calculator=SinglePointDFTCalculator(...))"
1439,HfV2W,12.354175227913545,0.1939253012499993,123,1.0393704010442362,-0.0324888229370117,True,"Atoms(symbols='HfV2W', pbc=True, cell=[[3.105815958633595, -0.0001540312228333613, -4.1428434610865956e-05], [0.0003192305771481253, 3.105844344432599, 4.6228301235113905e-05], [0.00021061032125948987, -7.355061894237148e-05, 6.486109651983819]], calculator=SinglePointDFTCalculator(...))"
53989,HLa5,12.341204093903375,0.12539655874999944,82,1.8444447082515594,-0.2749038934707641,True,"Atoms(symbols='La5H', pbc=True, cell=[[5.229714828845584, 0.0016425431518686405, 0.0011458586328622167], [2.6180800923736554, 5.837064551924245, 0.0003367474097602675], [2.6172244248293994, 0.0013078006365080824, 5.837425855280612]], calculator=SinglePointDFTCalculator(...))"
51460,HMo4N,12.262537292224811,0.07583191333333339,3,0.8127390924851825,-0.1195471286773681,True,"Atoms(symbols='Mo4HN', pbc=True, cell=[[2.9256703223889398, -3.002165637388824e-06, 1.7821620715973497e-06], [4.458395383811491e-06, 4.9354446646860906, 0.09498316231994833], [3.3998628781983e-06, 1.3579947423434264, 4.779058791674569]], calculator=SinglePointDFTCalculator(...))"
397,Ir3Nb3,12.240314606779963,0.022691343333333336,10,1.1614612887498976,-0.5008426904678345,True,"Atoms(symbols='Nb3Ir3', pbc=True, cell=[[2.8312922765509905, -0.00012397596364495587, 2.0905323627388296e-05], [-0.00020706129770505448, 4.8509315914827935, -0.002006128623295046], [0.00012551792472413533, -1.747450393421859, 6.828866230291681]], calculator=SinglePointDFTCalculator(...))"
146703,Mo5NbPtTc,12.236667037132474,0.025103346093750645,6,0.918627050779937,-0.1400020122528076,True,"Atoms(symbols='NbTcMo5Pt', pbc=True, cell=[[4.9870054503718535, 0.0005073326460100822, -0.0007116584000238421], [-0.0005198960887033194, 4.978471607394956, -0.0015361311821332918], [0.0007714416703806875, 0.0017556316831085265, 4.989032159588795]], calculator=SinglePointDFTCalculator(...))"
27616,HMoNb2Pt,12.17519806377867,0.11887185374999909,99,1.0981583164915334,-0.1357103586196899,True,"Atoms(symbols='Nb2MoHPt', pbc=True, cell=[[3.8762127402167965, 9.908967873089119e-05, -4.8783878330143836e-05], [-0.0001328347704149169, 4.1576070858335115, -8.74712942640675e-06], [6.572114508495297e-05, 1.0924105584099912e-05, 4.157578063407222]], calculator=SinglePointDFTCalculator(...))"
41038,HMoNb2Pt,12.16892458467091,0.11917751374999952,6,1.0982166501869979,-0.1159272193908691,True,"Atoms(symbols='Nb2MoHPt', pbc=True, cell=[[4.157743159592684, -2.760417584275822e-05, -2.2983788721416083e-05], [2.4675820900099365e-05, 3.875998214718161, -0.00014670889481456137], [2.1810758931705477e-05, 0.00015308882662046943, 4.1576822506537825]], calculator=SinglePointDFTCalculator(...))"
8905,IrMo2Tc,12.16426554925275,0.10006328250000074,10,0.9201240861726676,-0.1337653398513794,True,"Atoms(symbols='TcMo2Ir', pbc=True, cell=[[2.742484812297388, -3.601106608272218e-08, -0.005154083833089612], [-4.7091394108175155e-08, 3.8687320369980647, -4.044319729290337e-07], [-2.7301880692408087, -5.623266472917387e-07, 5.537891609193553]], calculator=SinglePointDFTCalculator(...))"
97718,InZr7,12.120304709144833,0.11134753249999996,225,1.145804654358997,-0.1578512191772461,True,"Atoms(symbols='Zr7In', pbc=True, cell=[[6.300503264362079, 9.25420449706399e-05, 6.939537178858379e-05], [3.1500607949086206, 5.456442375883437, 3.895197936699276e-05], [3.150034988504737, 1.8188286868417027, 5.144344868182171]], calculator=SinglePointDFTCalculator(...))"
151735,BeZr5,12.06850559022775,0.07668342000000017,123,1.12055683149131,-0.0659099817276001,True,"Atoms(symbols='Zr5Be', pbc=True, cell=[[3.1495934597191857, -6.284262054492718e-05, 3.034840308235504e-06], [4.4742308485271805e-05, 3.14965421408818, -4.796902489307962e-07], [1.1762004903783124e-05, -1.8611981658514895e-06, 12.131861256712373]], calculator=SinglePointDFTCalculator(...))"
56433,NbTa2,12.0666702181248,0.03188538666666929,69,1.0147608666629746,-0.0026626586914062,True,"Atoms(symbols='Ta2Nb', pbc=True, cell=[[2.8365839870812155, 0.0012472755954064077, -0.0005240095911293859], [-0.9476854745229897, 2.6735925433964938, 0.0005478601369992449], [-1.8938557441621418, 1.3371969810201967, 6.9701032071056295]], calculator=SinglePointDFTCalculator(...))"
36028,LaRu4Zr,11.98592518383203,0.18925512095238162,216,1.2300355811883552,-0.1547611951828003,True,"Atoms(symbols='LaZrRu4', pbc=True, cell=[[5.26697261345383, -9.936987930327509e-05, -0.00012525139793415766], [2.6337659989246442, 4.56125138531941, -5.428129675337025e-05], [2.6340997430014195, 1.520277800753821, 4.30036389019611]], calculator=SinglePointDFTCalculator(...))"
82605,GaHfNb6,11.962641508148105,0.10335208270833185,200,0.9475775341208101,-0.1106550693511962,True,"Atoms(symbols='HfNb6Ga', pbc=True, cell=[[5.211043480662297, -4.287025135427519e-05, 2.8543132920685507e-05], [7.951868170489401e-05, 5.210767366192602, 1.3771598701120365e-05], [-4.942538419741316e-05, -1.813639659909359e-05, 5.210964036049889]], calculator=SinglePointDFTCalculator(...))"
877,MoNb5Sn2,11.959075559395147,0.019007543124999415,1,0.9529336703773883,-0.1727925539016723,True,"Atoms(symbols='Nb5Sn2Mo', pbc=True, cell=[[5.21381295963062, -0.00200880931030918, 0.004654403378223675], [0.003431601640624542, 5.213857756593421, 0.011012681798859001], [-0.004937869132337324, -0.011683568891675038, 5.235225411162161]], calculator=SinglePointDFTCalculator(...))"
29462,IrReTc,11.951725579770695,0.1503673288888887,156,0.9031612573898664,-0.1987234354019165,True,"Atoms(symbols='ReTcIr', pbc=True, cell=[[2.7144620201432565, 3.0981916925832964e-05, -1.5167887925867323e-06], [-1.3572538645742387, 2.350778740370708, 7.748217117365437e-07], [-3.8029235250956158e-06, 1.8343835578214995e-07, 6.682874707055357]], calculator=SinglePointDFTCalculator(...))"
58755,Re3Ru,11.94874770712714,0.16573467250000107,123,0.9220523644269503,-0.0548357963562011,True,"Atoms(symbols='Re3Ru', pbc=True, cell=[[2.7257837066739667, -0.0016769019840755062, -0.00012117923203143469], [0.0016181849100324846, 2.7257856384648758, -7.955065360679111e-05], [0.0003284871275134063, 0.00022382319208589648, 7.713376803674032]], calculator=SinglePointDFTCalculator(...))"
105249,IrMo3RuTc,11.927972281202102,0.07762623472222252,38,0.9118139099923314,-0.0520844459533691,True,"Atoms(symbols='TcMo3IrRu', pbc=True, cell=[[3.8385499707055017, -7.011065124102591e-07, 5.65533429899988e-07], [7.32094645555464e-07, 3.8871783233075794, -0.008399972619253886], [-6.701183792650543e-07, 1.9542042144492209, 5.85450747245957]], calculator=SinglePointDFTCalculator(...))"
944,NbReTi2,11.910911645170406,0.11969120249999854,47,0.8677258879453282,-0.1677401065826416,True,"Atoms(symbols='Ti2NbRe', pbc=True, cell=[[3.158110629133673, 4.5284543538108504e-07, 9.956221473660193e-06], [6.569447865387571e-07, 4.576873177736482, -4.5284543538108504e-07], [-3.2866373641108884e-05, -4.3371112121005324e-07, 4.3694564084813035]], calculator=SinglePointDFTCalculator(...))"
14824,Nb2TcZr,11.909054509241747,0.15890622750000105,123,0.957049053705464,-0.1189393997192382,True,"Atoms(symbols='ZrNb2Tc', pbc=True, cell=[[3.2403029509151793, -9.953282532026869e-06, -1.97186428698419e-05], [7.148626205430228e-05, 4.608927252197204, -0.00010446166181757911], [0.00013791840614848624, 0.00011565786833588426, 4.607604909654147]], calculator=SinglePointDFTCalculator(...))"
1160,IrRu2Tc,11.902619517136541,0.08315146624999947,123,0.8443710381032279,-0.0932786464691162,True,"Atoms(symbols='TcIrRu2', pbc=True, cell=[[3.800743952177803, 1.0484899765153153e-05, -2.6033332774688525e-05], [-1.0457966077683034e-05, 3.8007439060057675, -3.906923751022573e-05], [2.5825558614204756e-05, 3.876911927841584e-05, 3.7857896416848322]], calculator=SinglePointDFTCalculator(...))"
26215,CIrMo2,11.895653679304566,0.0656493900000008,8,0.8117359383257904,-0.076680302619934,True,"Atoms(symbols='Mo2IrC', pbc=True, cell=[[2.882997617562511, 0.0005911938283093573, 0.0003074088514902627], [1.4409646247790757, 2.4969491333271265, 0.0003128019892357059], [1.440456578327814, 0.8321205607378364, 6.960106461215165]], calculator=SinglePointDFTCalculator(...))"
127035,Cr2IrRu,11.893804002627505,0.19006189083333425,2,0.8375297924070325,-0.0132431983947753,True,"Atoms(symbols='Cr2IrRu', pbc=True, cell=[[2.6267712222623842, 0.0037590368265792017, 0.00026018214573127424], [-0.006504516469472676, 4.50008967879059, -0.0036565804979316573], [0.0016536078643513048, -1.5368635803442892, 4.289057190224524]], calculator=SinglePointDFTCalculator(...))"
152838,CrIrOsTc,11.892422847334513,0.11501679981481416,25,0.8454992553046162,-0.1243032217025756,True,"Atoms(symbols='CrTcIrOs', pbc=True, cell=[[2.6732382075300474, 2.4265203857603172e-08, -4.2383222737946875e-06], [3.23536051434709e-08, 3.763508553839547, 1.558365314410515e-06], [-8.476644547589375e-06, 2.2108296848038446e-06, 5.336691565969198]], calculator=SinglePointDFTCalculator(...))"
1202,Mo4N2,11.89021571729289,0.022539745833332958,58,0.7686481513322185,-0.3357257843017578,True,"Atoms(symbols='Mo4N2', pbc=True, cell=[[2.904133127525557, 1.6115846884589065e-06, -2.5199324219539264e-06], [2.7836462800653837e-07, 5.1330159098380745, -0.0006726783791167265], [1.7932542351579104e-06, 0.0006586253606333649, 4.7989655426668785]], calculator=SinglePointDFTCalculator(...))"
93395,IrMo2Re,11.87229190375679,0.13340527843749683,25,0.9867078372473265,-0.0514888763427734,True,"Atoms(symbols='ReMo2Ir', pbc=True, cell=[[2.7297521401747464, -1.2407465268747435e-05, -2.9795906626353154e-07], [-2.188593669743261e-05, 4.8237073092046545, -1.0178394140945734e-05], [-5.200228986674844e-07, -9.233920119582087e-06, 4.4921115202695105]], calculator=SinglePointDFTCalculator(...))"
109304,MnTiVZr,11.848095160746444,0.191151102500001,99,0.8971156661380628,-0.1284734010696411,True,"Atoms(symbols='ZrTiMnV', pbc=True, cell=[[2.9346352647899687, -4.897553724600224e-05, -1.8661020673452517e-06], [4.3202191263404695e-05, 2.9346348909762, 2.5345166870159748e-05], [-4.852755407880171e-05, -0.00013296793093218892, 7.043474480088393]], calculator=SinglePointDFTCalculator(...))"
86870,IrRe2Ru,11.840726251153958,0.12978931000000138,10,0.8919283463699005,-0.1572493314743042,True,"Atoms(symbols='Re2IrRu', pbc=True, cell=[[2.7098606241720264, 9.982269586702287e-06, 2.798537075142899e-06], [-1.6996393790677256e-05, 4.69680846639865, 0.007636020419911881], [9.848224311353311e-07, -1.5704717760255629, 4.440310681822744]], calculator=SinglePointDFTCalculator(...))"
30,ReRu2Tc,11.807548474737214,0.12950631166667037,123,0.8797342912485895,-0.0903668403625488,True,"Atoms(symbols='ReTcRu2', pbc=True, cell=[[3.809520520154503, 0.00012297940095867778, 7.001454884409206e-07], [-0.00012567996212837845, 3.8111714670632, 6.572519598908313e-05], [-7.924723660375255e-07, -6.610219740593593e-05, 3.811183596506744]], calculator=SinglePointDFTCalculator(...))"
129344,IrMo3OsTc,11.78509592443976,0.06876549916666974,38,0.9052219920189617,-0.0229455232620239,True,"Atoms(symbols='TcMo3IrOs', pbc=True, cell=[[3.8601202214142867, 3.5766962878683037e-07, -7.036761175045249e-07], [-1.4773310754238646e-07, 3.891573696345227, -0.0010626753442592367], [-8.704590204931665e-06, 1.9488031091977365, 5.858818784219943]], calculator=SinglePointDFTCalculator(...))"
101336,MoOsReRu,11.706702931829199,0.19324756583333524,8,0.9167660935381061,-0.0225294828414917,True,"Atoms(symbols='ReMoOsRu', pbc=True, cell=[[2.7214583523683444, -0.0040780253269642585, -0.000879919945758094], [1.3645975952481153, 2.3546137270891587, -0.0008100736990535886], [1.363697046365113, 0.7844783472347058, 8.986913950649651]], calculator=SinglePointDFTCalculator(...))"
2664,Os2RuTc,11.666710925890596,0.14846935541666895,123,0.8513122872939275,-0.0344083309173584,True,"Atoms(symbols='TcOs2Ru', pbc=True, cell=[[3.815178606004371, 3.854971479714235e-09, 7.497919528044186e-05], [3.854971479714235e-09, 3.8083783669246682, 1.1564914439142703e-08], [-7.6151106610275e-05, 1.1564914439142703e-08, 3.8083968977725715]], calculator=SinglePointDFTCalculator(...))"
28198,IrNb3Rh2,11.660056299948158,0.0726101472222247,6,1.0477931498477557,-0.4149712324142456,True,"Atoms(symbols='Nb3IrRh2', pbc=True, cell=[[2.8257533998479287, 6.402269113831432e-06, -2.3539018998905533e-06], [1.1938669319298739e-05, 4.838007414787029, 0.0064913274583069495], [-3.936549705907101e-06, -1.728496984088868, 6.781531333317101]], calculator=SinglePointDFTCalculator(...))"
46411,BeNbZr2,11.64251629887611,0.16911169952380956,99,1.104063539481074,-0.1233956813812255,True,"Atoms(symbols='Zr2BeNb', pbc=True, cell=[[2.8632981019159387, -6.145351690230116e-05, 0.00031355927496293207], [8.348027534900744e-05, 2.8632678731766252, 4.2663152615381475e-05], [-0.0012589018304231896, -0.0001314040289407207, 8.582726869820032]], calculator=SinglePointDFTCalculator(...))"
53787,ReRu2Ta,11.634857844748822,0.17510273250000452,123,1.0467570929073697,-0.1337528228759765,True,"Atoms(symbols='TaReRu2', pbc=True, cell=[[3.809154641712569, -9.092029502823382e-05, -2.0114253739494402e-07], [8.341999925883389e-05, 3.9238301643847, 2.9397755465414894e-07], [-2.0501066311407753e-07, 2.9397755465414894e-07, 3.923817910162422]], calculator=SinglePointDFTCalculator(...))"
96733,H3Mo2Pd2,11.621615291215187,-0.00535786999999921,1,0.7968520861567594,-0.0570179224014282,True,"Atoms(symbols='Mo2H3Pd2', pbc=True, cell=[[2.8725777022440955, 0.00025045038621127974, -0.0006169545797305597], [1.43632050902156, 2.4878626779425326, -0.0015338319078022204], [1.4380462332001454, 0.8344565266115973, 9.243720736586623]], calculator=SinglePointDFTCalculator(...))"
223,NbRu3,11.577333560071551,0.06041669000000027,221,0.8725281430208177,-0.1310381889343261,True,"Atoms(symbols='NbRu3', pbc=True, cell=[[3.851888556688009, 1.3656187301099398e-07, -8.97406594072246e-08], [1.3656187301099398e-07, 3.85192518258235, 1.170530340094234e-08], [-8.97406594072246e-08, 1.170530340094234e-08, 3.85190013713484]], calculator=SinglePointDFTCalculator(...))"
115587,CrMoRuV,11.560961324800228,0.1991735610416665,6,0.8138914888142464,-0.110278844833374,True,"Atoms(symbols='VCrMoRu', pbc=True, cell=[[2.6516805867253788, 1.634921974154877e-06, -0.0007814793245791396], [2.5848357234592654e-06, 4.183987357477396, -2.6115938572424875e-05], [-1.0001473183150535, -3.0442728805171907e-05, 4.787544157568429]], calculator=SinglePointDFTCalculator(...))"
105960,BiNb6Sn,11.534588495679891,0.035102171874999755,25,0.9591828959905065,-0.0424634218215942,True,"Atoms(symbols='Nb6SnBi', pbc=True, cell=[[5.285988810571938, 2.2206113265169295e-05, 1.9796605083424244e-05], [-1.0249800951298537e-05, 5.28591248980276, 4.203491667618924e-05], [-2.4025318774326466e-05, -1.2407088900210586e-05, 5.285890648603875]], calculator=SinglePointDFTCalculator(...))"
67839,RuTc3,11.520286562437844,0.1465841999999995,1,0.8434512556687148,-0.0766563415527343,True,"Atoms(symbols='Tc3Ru', pbc=True, cell=[[2.6885669725252708, -1.9481260995541126e-05, -0.002242087946283547], [3.0020170519774313e-05, 4.208175697999302, 0.00020600206945027615], [-1.338055310587549, -0.00024970547435233673, 4.959380681920152]], calculator=SinglePointDFTCalculator(...))"
55374,HfMoTcTi,11.445349441884353,0.11128702937500101,99,0.9563311505279029,-0.3349157571792602,True,"Atoms(symbols='HfTiTcMo', pbc=True, cell=[[3.1671107958396294, 1.4227254635057407e-05, -0.00010862761714837128], [-2.0102477196902976e-05, 3.167122523884667, 2.3340889632952927e-05], [0.00022695447154344947, -4.988179155449277e-05, 6.4178383063815465]], calculator=SinglePointDFTCalculator(...))"
12701,MoNbZr2,11.408796177152986,0.10091956125000046,6,0.9799009605893269,-0.0086485147476196,True,"Atoms(symbols='Zr2NbMo', pbc=True, cell=[[3.04831840909904, 1.5499458189841622e-08, -0.003212306108327608], [2.169924146577827e-08, 4.477477697483652, 2.324918728476243e-07], [1.2308989702142512, 2.944897056069908e-07, 5.552019187441937]], calculator=SinglePointDFTCalculator(...))"
78310,Nb7Pt,11.404767364305453,0.021650364999999283,6,0.9070425428997122,-0.1566593647003173,True,"Atoms(symbols='Nb7Pt', pbc=True, cell=[[5.183356345887238, 0.001010951832762188, 1.0664126525160684e-05], [-0.0010642934991681198, 5.183458412305312, 4.21674707126546e-05], [-1.1179454138309475e-05, -4.3876465348097016e-05, 5.183447963775032]], calculator=SinglePointDFTCalculator(...))"
22983,La3Pb,11.391653338744382,0.10194020000000048,139,1.7214617590586105,-0.3768409490585327,True,"Atoms(symbols='La3Pb', pbc=True, cell=[[4.915299359829529, 4.1123856045005776e-07, -2.738247000069897e-06], [4.6138960440738184e-07, 4.915086824720341, -0.0007214578730568776], [-2.4576497777093, -2.456641275321049, 5.15356028955172]], calculator=SinglePointDFTCalculator(...))"
77201,IrMo2Tc,11.386559703889066,0.10830419750000075,44,0.9359680125864134,-0.1164120435714721,True,"Atoms(symbols='TcMo2Ir', pbc=True, cell=[[3.852932906357864, -0.00044649643327339974, -0.00135782968450038], [0.0018404081593276066, 3.8530614474237868, -0.0019107181176150228], [-1.9256629469429019, -1.9239862618679613, 3.9606319753538926]], calculator=SinglePointDFTCalculator(...))"
27803,HNb2Ti,11.378886804746362,0.1693502425000002,1,0.8298328993203483,-0.1526131629943847,True,"Atoms(symbols='TiNb2H', pbc=True, cell=[[5.487440872425166, 0.02895964251090303, 0.03593428014663426], [1.9595486266044766, 4.238670342321951, 0.009118930982652117], [3.9602254818850544, 0.7306196809946423, 2.3738149421106343]], calculator=SinglePointDFTCalculator(...))"
40506,MoNb2SiTi2,11.377861231941594,0.19582094194444366,65,0.9755977029640706,-0.2885434627532959,True,"Atoms(symbols='Ti2Nb2SiMo', pbc=True, cell=[[4.334119756521369, 5.417951069179935e-07, 3.680947809106006e-05], [-9.084233747572371e-07, 3.601685849129317, -0.000571919729592118], [4.740503503161421e-05, -1.8011038579765273, 6.129398693830473]], calculator=SinglePointDFTCalculator(...))"
1257,MoTcTi2,11.374426906008393,0.07244804250000136,123,0.8665976900640846,-0.3547168970108032,True,"Atoms(symbols='Ti2TcMo', pbc=True, cell=[[3.08348550422261, 3.3040433857342834e-07, 1.122127942324851e-07], [3.3040433857342834e-07, 3.0834932780756326, 1.7548834209135868e-06], [2.275426105269837e-07, 3.5596391948193886e-06, 6.260507033514142]], calculator=SinglePointDFTCalculator(...))"
10187,HfScZr,11.370021417246159,0.1252449569999996,156,1.0619900747835063,-0.0126562118530273,True,"Atoms(symbols='HfZrSc', pbc=True, cell=[[3.159985061617616, 0.0001169969188741415, 1.4989462654786132e-05], [-1.5800972704367158, 2.736539788166621, -0.00013563246703955127], [-1.8692966834868425e-05, 0.0004096758267352359, 7.760776333421609]], calculator=SinglePointDFTCalculator(...))"
16451,IrMo4Os,11.36738602562201,0.07198231916666664,38,1.153889424289768,-0.04541015625,True,"Atoms(symbols='Mo4IrOs', pbc=True, cell=[[3.869736842885149, -9.377609127424737e-07, -2.4112177468890856e-05], [1.191737826610227e-06, 3.8853372575993617, -0.0010025680064872516], [-3.827236725130221e-05, 1.9429905230476539, 5.965589576395482]], calculator=SinglePointDFTCalculator(...))"
170927,IrOsTc2,11.35586577808607,0.08994544916666669,47,0.8392274408154833,-0.1617994308471679,True,"Atoms(symbols='Tc2IrOs', pbc=True, cell=[[2.6992101133840274, -5.715657214667555e-08, -3.461238704710824e-05], [-7.893050439302814e-08, 3.842329186002281, 8.165224592382221e-08], [6.850351258855604e-05, 1.143131442933511e-07, 5.39945956187597]], calculator=SinglePointDFTCalculator(...))"
15291,HHfNb2Ta,11.355580836120462,0.1618622150000011,6,1.004397978803724,-0.18626070022583,True,"Atoms(symbols='HfTaNb2H', pbc=True, cell=[[4.836412146994672, 9.73664111696112e-05, -0.0243051050872497], [1.4811728108179081e-05, 3.306924321832585, -0.00011197725245925396], [0.1386836654813955, 6.795854080729205e-06, 4.790264123260437]], calculator=SinglePointDFTCalculator(...))"
69574,GaNb6Zr,11.353288387468787,0.13339606999999987,200,0.9205316346867074,-0.1173133850097656,True,"Atoms(symbols='ZrNb6Ga', pbc=True, cell=[[5.217071398829371, 4.580519525363404e-06, 4.173244694586288e-06], [4.580519525363404e-06, 5.217190042747932, -1.8459599472884849e-06], [4.173244694586288e-06, -1.8459599472884849e-06, 5.217671552672864]], calculator=SinglePointDFTCalculator(...))"
34530,Mo6ReRu,11.32978516660116,-0.01877373374999891,200,0.8344575103181582,-0.0223737955093383,True,"Atoms(symbols='ReMo6Ru', pbc=True, cell=[[4.948632426938487, 5.2981386282591464e-05, 4.8135832379695585e-05], [-9.755548677283883e-05, 4.948637956864436, 7.50311542489651e-05], [-8.157015430967716e-05, -0.00012128371464784444, 4.948633111310533]], calculator=SinglePointDFTCalculator(...))"
46818,HfNbScTa,11.319743766455986,0.14799592750000023,99,1.282600282540518,-0.0420440435409545,True,"Atoms(symbols='HfScTaNb', pbc=True, cell=[[3.3679373643502535, -8.202905817576186e-08, -3.9432051840573526e-05], [-8.202905817576186e-08, 3.3679550928804516, -1.637163286091247e-06], [7.723377614990378e-05, -3.4828170950458886e-06, 7.068896070084676]], calculator=SinglePointDFTCalculator(...))"
24726,ReTcW2,11.288640271682217,0.12018656499999913,99,0.9374511298906265,-0.0652768611907959,True,"Atoms(symbols='ReTcW2', pbc=True, cell=[[3.1034276320497565, 0.00010435225184737253, -2.2557477395372326e-05], [-0.00010736367978501088, 3.1034339184055764, -1.80936628586438e-05], [0.00010929601271166217, 0.00012145465300987703, 6.26419619597192]], calculator=SinglePointDFTCalculator(...))"
5943,MoTaZr2,11.2812690319381,0.049051792500000246,99,1.2703037824936319,-0.103779911994934,True,"Atoms(symbols='Zr2TaMo', pbc=True, cell=[[3.2642024922242623, -1.4111980030525151e-05, -1.035450851093282e-05], [2.4667899580733133e-05, 3.264201518187269, -5.9442671148700124e-05], [-0.00026746725651678066, 0.0006271642599200047, 7.177582437491545]], calculator=SinglePointDFTCalculator(...))"
28065,NbOs2Re,11.270731810306005,0.14654885208333113,123,0.983731787561771,-0.0439943075180053,True,"Atoms(symbols='NbReOs2', pbc=True, cell=[[3.923007519914185, 2.192013097328382e-07, 4.3043166274811863e-07], [2.192013097328382e-07, 3.92300901446857, 4.78257403053465e-07], [4.2246070603056085e-07, 4.7028644633590736e-07, 3.883635915795223]], calculator=SinglePointDFTCalculator(...))"
147307,Mo4Nb2SiTc,11.251852078291483,0.04582875828124955,6,0.8139609091139104,-0.2287178039550781,True,"Atoms(symbols='Nb2SiTcMo4', pbc=True, cell=[[4.975452625141571, -6.349673592532365e-05, 3.5889895432206784e-05], [6.812963106074683e-05, 4.977259454244385, 0.0005111025958057322], [-3.854227803679429e-05, 0.0017210002078711262, 4.971671606106152]], calculator=SinglePointDFTCalculator(...))"
50713,NbZnZr2,11.21806583612157,0.1644538225000005,123,1.3871750884881289,-0.0416483879089355,True,"Atoms(symbols='Zr2NbZn', pbc=True, cell=[[2.9014596282069482, 2.418210491357257e-05, 5.624755829365267e-05], [0.0003602870558251477, 2.9014585699996926, 6.472208399799352e-05], [-0.00043317625336380873, -0.0003995885185963078, 8.910227150584868]], calculator=SinglePointDFTCalculator(...))"
18999,IrOsTcV,11.150289021632096,0.1269136308333323,47,0.8418635143855896,-0.2057651281356811,True,"Atoms(symbols='VTcIrOs', pbc=True, cell=[[3.7875366895482068, 4.5741495054302834e-08, 7.788251891245962e-05], [4.955328630882807e-08, 3.820878881254698, -1.0673015512670661e-07], [-7.410122198797058e-05, -1.0673015512670661e-07, 3.793695236771119]], calculator=SinglePointDFTCalculator(...))"
1868,Ru2TaTi,11.114736564394365,0.06944350500000063,225,0.857340989931726,-0.5432721376419067,True,"Atoms(symbols='TaTiRu2', pbc=True, cell=[[4.376462496041764, -0.00011567176261299741, -3.8164776413947026e-05], [2.1884190729890083, 3.790071493678782, -1.9564870302672913e-05], [2.1882836725777666, 1.2633220230425501, 3.5733294569081755]], calculator=SinglePointDFTCalculator(...))"
42530,Re2RuTc,11.11065725150355,0.1285291491666669,119,0.850209380492202,-0.0502231121063232,True,"Atoms(symbols='Re2TcRu', pbc=True, cell=[[3.8361508835634615, -0.0021117316501186763, 0.0009559655516268109], [6.762432362432207e-05, 3.8361493492886733, 0.0009382826472483642], [-1.9194579454105871, -1.9183519386330707, 3.8516467954641054]], calculator=SinglePointDFTCalculator(...))"
7347,ReTaTi2,11.08858140619588,0.09530765499999916,216,0.8397910437382288,-0.2097738981246948,True,"Atoms(symbols='TaTi2Re', pbc=True, cell=[[4.476237567099655, -4.342967202736676e-05, 9.425760136214774e-05], [2.2381762875687583, 3.876528527206085, 0.000150890038572146], [2.237997801215444, 1.292044234109783, 3.6549698594253064]], calculator=SinglePointDFTCalculator(...))"
198670,AsMo6Tc,11.00301086081759,0.02947344124999951,200,0.831638777151344,-0.0865184068679809,True,"Atoms(symbols='TcMo6As', pbc=True, cell=[[4.940374868991667, 1.6828871435940524e-05, -9.258620148307344e-05], [5.146335662391406e-05, 4.940377261013666, -9.472905452348044e-05], [0.00021367234840355995, 0.00014665586540962207, 4.940378038420816]], calculator=SinglePointDFTCalculator(...))"
9302,MoNbOsRu,10.992905159006016,0.1473065570833345,25,0.9423543172517131,-0.1209425926208496,True,"Atoms(symbols='NbMoOsRu', pbc=True, cell=[[2.930986403406577, -0.055035839104091044, 0.049575632768230335], [-0.04466680276524434, 4.5640014417669965, 3.973080293079401e-05], [0.06314657224964591, 0.43903952812051045, 4.511759737655866]], calculator=SinglePointDFTCalculator(...))"
1229,Re2RuTc,10.989837192014221,0.12787441666666766,71,0.8479047376738026,-0.0603392124176025,True,"Atoms(symbols='Re2TcRu', pbc=True, cell=[[3.8394596570992263, -0.0006261112122871912, -0.00025869937722318404], [-0.0006248218708088519, 3.839830175781226, -0.00026542958439776864], [-1.919681788928869, -1.9198719862147176, 3.845168566014854]], calculator=SinglePointDFTCalculator(...))"
190760,HPbZr7,10.980471380194745,0.058143943888888217,146,1.0583045385144456,-0.1876226663589477,True,"Atoms(symbols='Zr7HPb', pbc=True, cell=[[5.648949639474205, -0.0008334940828090543, -0.0010153937367629341], [-0.004255770994725242, 5.6489550066297705, -0.0007422181067199603], [-0.004073917116085349, -0.0043573178068900585, 5.64893655345632]], calculator=SinglePointDFTCalculator(...))"
186747,HMoNbPtTa,10.962992618991066,0.12638890974999661,6,0.9975402967763787,-0.0505424737930297,True,"Atoms(symbols='TaNbMoHPt', pbc=True, cell=[[4.134566974435008, -2.0036377079287815e-07, -0.005115775455033486], [-1.836667898934716e-07, 3.8448891410068913, -2.6297744916565254e-07], [0.004983618851214684, -2.92197165739614e-07, 4.218471678600058]], calculator=SinglePointDFTCalculator(...))"
2324,Pb2Zr6,10.943441611820717,0.03097680249999968,223,1.178080400712878,-0.1858085393905639,True,"Atoms(symbols='Zr6Pb2', pbc=True, cell=[[5.619731914698861, -2.2768821085768186e-07, -9.31814002935063e-06], [-3.1534817203788937e-06, 5.61974153452577, 1.7235997561926517e-05], [6.255733593314808e-05, -0.00012735740074324434, 5.6197210198179715]], calculator=SinglePointDFTCalculator(...))"
5031,IrOsRuTc,10.930285953649367,0.08707237583333516,47,0.8268071021880224,-0.0846240520477294,True,"Atoms(symbols='TcIrOsRu', pbc=True, cell=[[3.8021034913043894, 0.0001356468656007472, -4.4591075490718305e-05], [-0.00013667199192725157, 3.8092792488889136, -1.4267301233296818e-05], [4.45373235485046e-05, 1.4225067564414616e-05, 3.8164014503418704]], calculator=SinglePointDFTCalculator(...))"
175399,Mo3NbTc2,10.907870050812214,-0.006726968333332195,8,0.7927368808635537,-0.1400622129440307,True,"Atoms(symbols='NbTc2Mo3', pbc=True, cell=[[3.1258046905804306, 0.0015429053708074841, -0.0003983849247307404], [-0.002116401734098925, 6.261355373319231, -0.002169081542377409], [-1.5622411556830884, -1.5645157707236443, 4.6854193959889905]], calculator=SinglePointDFTCalculator(...))"
52029,HTc2W2,10.850309102055999,0.19272832974999865,6,0.9686828676726822,-0.0598219633102417,True,"Atoms(symbols='Tc2HW2', pbc=True, cell=[[3.8690859988181674, -6.619484658503915e-08, -3.3253175872719667e-06], [5.0619588565029944e-08, 3.9906442720734954, 0.004129838071223017], [3.492751610987066e-06, -0.004139471368308393, 3.9906689549636427]], calculator=SinglePointDFTCalculator(...))"
3661,Re2RuTc,10.840038540450445,0.1267713541666673,123,0.8431981811570983,-0.0473483800888061,True,"Atoms(symbols='Re2TcRu', pbc=True, cell=[[3.8359731950748017, -7.310686579149305e-05, 6.589778115822415e-05], [7.346751391999978e-05, 3.843350935060295, -5.8397851260030446e-05], [-6.608780006464167e-05, 5.8196198543015934e-05, 3.8434806365367042]], calculator=SinglePointDFTCalculator(...))"
9460,Mo3NbTi2,10.822943706983995,0.030563670000001153,164,0.8318155166026615,-0.1433326005935669,True,"Atoms(symbols='Ti2NbMo3', pbc=True, cell=[[4.470653072240685, -2.1508548632479353e-06, 2.2545648461718394e-06], [-2.2353283983909056, 3.8716958023243375, -2.8136969280224554e-06], [2.6648956481751143e-06, -2.3267109212493383e-06, 5.427090590971842]], calculator=SinglePointDFTCalculator(...))"
6343,MoNbReTc,10.793120928124905,0.09780947109374694,47,0.8436507849187407,-0.1321794986724853,True,"Atoms(symbols='NbReTcMo', pbc=True, cell=[[3.1182377877656124, 3.1540640538400005e-09, -0.0], [3.1540640538400005e-09, 4.455793599820576, -1.0723817783056001e-07], [-0.0, -1.0408411377672001e-07, 4.40477077557715]], calculator=SinglePointDFTCalculator(...))"
66873,BiGeNb6,10.777360305920022,0.08171545656250068,25,0.8623495613579452,-0.0822212696075439,True,"Atoms(symbols='Nb6GeBi', pbc=True, cell=[[5.2157065602135875, 0.00010095970096136368, -0.000127472071861552], [1.803116344598718e-05, 5.215761240986538, 0.0001319481177169819], [6.048481822609315e-05, -6.1442459242444e-05, 5.215779547273369]], calculator=SinglePointDFTCalculator(...))"
21633,Ru3Ta,10.762454314685922,0.06827446750000021,221,0.8663602673895958,-0.1865439414978027,True,"Atoms(symbols='TaRu3', pbc=True, cell=[[3.853749695135122, 1.9090815005542768e-05, 1.559070233200716e-08], [-2.049008053984041e-05, 3.8537435796821318, -1.948837791500895e-08], [1.559070233200716e-08, -1.948837791500895e-08, 3.8537306783759524]], calculator=SinglePointDFTCalculator(...))"
11643,IrMoNb5Pt,10.750478741457172,0.011653923437499714,25,0.8824962509786044,-0.3491218090057373,True,"Atoms(symbols='Nb5MoIrPt', pbc=True, cell=[[5.095901199685451, -6.352256850978586e-05, -5.974675150046292e-05], [5.5903785898634923e-05, 5.096841977292828, 8.064545959857592e-05], [3.1146616369654314e-05, -3.911147249602362e-05, 5.089817841955797]], calculator=SinglePointDFTCalculator(...))"
86724,HCr2RhRu,10.731674269253253,0.16421462399999953,6,0.7581654384516322,-0.1000738143920898,True,"Atoms(symbols='Cr2HRuRh', pbc=True, cell=[[3.6941894657842895, 9.333898711653031e-07, -4.0225369887739905e-05], [-1.5904963404656764e-06, 3.7399167881394817, -0.002998712839771223], [4.046805125424289e-05, 0.0030092153426015756, 3.7397527318021657]], calculator=SinglePointDFTCalculator(...))"
47768,AsNb6Sn,10.712341514556936,0.07305120593750125,25,0.8326516288031114,-0.2420898675918579,True,"Atoms(symbols='Nb6SnAs', pbc=True, cell=[[5.17861422269271, 0.0001568823543232747, -1.2937177949660702e-05], [-0.0002467691722451751, 5.1786400917874555, -1.815098166991843e-05], [-2.3306912694996706e-06, -0.00011112083589865134, 5.17872188695036]], calculator=SinglePointDFTCalculator(...))"
151610,Hf2ScZr2,10.708679380753187,0.10267160799999964,139,1.0242491162055705,-0.0104461908340454,True,"Atoms(symbols='Hf2Zr2Sc', pbc=True, cell=[[3.132267475404289, -0.00143974862661606, -0.00022386370240141446], [0.0016394580114939279, 3.1322632669141717, -0.0006603610501163778], [-1.5659528632177122, -1.563867785225092, 11.333434210245846]], calculator=SinglePointDFTCalculator(...))"
4435,Nb3Rh,10.705824181216345,0.08462388000000054,123,1.194047851628247,-0.2438938617706298,True,"Atoms(symbols='Nb3Rh', pbc=True, cell=[[3.2374566760837165, -2.0409873048805278e-05, 1.0645059309812989e-05], [2.7891960400781205e-05, 3.237429408178012, -8.50356635393577e-06], [2.082371984702695e-05, -1.6642553385628636e-05, 6.319538611708137]], calculator=SinglePointDFTCalculator(...))"
37319,HfMnZr2,10.704991664476891,0.1297338918750004,99,1.0227133434468625,-0.1057862043380737,True,"Atoms(symbols='HfZr2Mn', pbc=True, cell=[[3.181614440399801, -4.051234540109621e-05, 4.4887950360598335e-05], [5.4460596835192796e-05, 3.18161238357441, -8.436218105955102e-05], [0.00026992599256825216, 0.0012167157069428293, 7.3706552274326205]], calculator=SinglePointDFTCalculator(...))"
47950,BiGeNb6,10.68346307041948,0.08171458781249896,6,0.8588323561393615,-0.0822545289993286,True,"Atoms(symbols='Nb6GeBi', pbc=True, cell=[[5.2157558856086625, 0.0001256803478831378, -0.0004963990166337785], [-0.00011599838464903376, 5.215767842568722, 0.00041215535511648926], [0.0006789437037738291, -0.0004403917692041468, 5.215721771237661]], calculator=SinglePointDFTCalculator(...))"
190868,Mo2Os3Re,10.663327343825127,0.04965177666666598,6,0.8440282671723275,-0.0020645856857299,True,"Atoms(symbols='ReMo2Os3', pbc=True, cell=[[2.7548305590435085, -8.369537780411168e-05, -7.673099378627388e-07], [0.00014807686691772925, 4.760367603614205, -0.0038141330782562786], [-4.8454925021542986e-05, -1.5712569525743285, 6.6319052874514215]], calculator=SinglePointDFTCalculator(...))"
68957,Mo2Os3Re,10.65468257677684,0.05205632333333021,10,0.8437404436616601,-0.0033990144729614,True,"Atoms(symbols='ReMo2Os3', pbc=True, cell=[[2.7548774865344225, 1.6650718565960638e-05, 5.593120109492993e-09], [-1.6527669923551793e-06, 4.760373505139796, -0.0016640790777766288], [-3.017488299071469e-06, -1.5743131607163778, 6.631187504723305]], calculator=SinglePointDFTCalculator(...))"
14750,IrNbTc4,10.648202391153047,0.09736024333333404,1,0.8332985670369938,-0.229928970336914,True,"Atoms(symbols='NbTc4Ir', pbc=True, cell=[[4.788885033310068, -0.0010717411597960754, -0.0003992380212524982], [2.395363618600426, 4.6120828407477585, 0.0010867434577509652], [2.3950420406705204, 1.2413530950734823, 3.9568703870840056]], calculator=SinglePointDFTCalculator(...))"
53802,OsRuTcW,10.644862071280267,0.10110835916666971,10,0.8339206809884034,-0.0552155971527099,True,"Atoms(symbols='TcOsRuW', pbc=True, cell=[[2.7296664054178468, -7.894349643116625e-06, 1.3220558345846983e-05], [1.2031451286632765e-05, 4.702989740842727, -0.0018018853060413696], [-2.801558252009798e-05, -1.5546835956362879, 4.442824833945803]], calculator=SinglePointDFTCalculator(...))"
89887,NbOs4Ta,10.641229963113565,0.16558668250000075,82,1.153590256792444,-0.11470627784729,True,"Atoms(symbols='TaNbOs4', pbc=True, cell=[[5.120391470312098, -0.014939059765201365, -0.016613595569201126], [2.546858927885695, 4.412633102648543, -0.021767891988602343], [2.5419098539272715, 1.453070964512981, 4.1335231601753915]], calculator=SinglePointDFTCalculator(...))"
56231,H3Ti4,10.63738506342805,0.18641853714285794,1,0.776374702707763,-0.3508033752441406,True,"Atoms(symbols='Ti4H3', pbc=True, cell=[[3.903748317150218, -0.00048217425673819443, 9.761516282088468e-05], [0.0002275602522463021, 3.8856111412464283, -0.0008902841664362302], [-1.9518119903586282, -1.9413021637271184, 4.681143334300786]], calculator=SinglePointDFTCalculator(...))"
125671,MoNbReTc,10.628196651588484,0.12292968859374653,2,0.8298894707948689,-0.0585658550262451,True,"Atoms(symbols='NbReTcMo', pbc=True, cell=[[2.725952443553215, -0.0008759650222323774, -0.001484305961846604], [-0.9132774489028415, 5.101422175679927, -0.006888514850748546], [-0.9426784143479295, -2.521064725741235, 4.408877668817232]], calculator=SinglePointDFTCalculator(...))"
91966,OsReTcW,10.616899781248245,0.14435396479166762,10,0.8818326726878198,-0.0112764835357666,True,"Atoms(symbols='ReTcOsW', pbc=True, cell=[[2.7449669896801185, -2.5784370121205317e-05, -7.4877522521638066e-06], [4.314675159299425e-05, 4.742174820778421, 0.00537982662961982], [-2.231632937057336e-06, -1.5630917910209414, 4.48121745658171]], calculator=SinglePointDFTCalculator(...))"
957,HfNb2Re,10.61459063961883,0.16580336220000014,123,0.910890374759413,-0.0752274990081787,True,"Atoms(symbols='HfNb2Re', pbc=True, cell=[[3.23576165317236, 1.1799391864358488e-06, -9.728746495404213e-07], [-3.97695380386456e-06, 4.614419558175599, -0.0001055733331685401], [1.7846991037177324e-06, 8.245770002591247e-05, 4.614375617766174]], calculator=SinglePointDFTCalculator(...))"
36478,Hf2TaV,10.578421345994043,0.18154790624999784,99,0.9655870029307009,-0.043144941329956,True,"Atoms(symbols='Hf2TaV', pbc=True, cell=[[3.2350202767108884, 0.00010864358905964524, -5.4766813748909176e-05], [-0.00010642503736449317, 3.2350014451990807, -1.8199977180583906e-05], [0.00013108760982225313, 5.698209324392092e-05, 7.042620578841722]], calculator=SinglePointDFTCalculator(...))"
1838,Re2Tc2,10.577148911862688,0.035885637499999845,11,0.8285070130819185,-0.0086109638214111,True,"Atoms(symbols='Re2Tc2', pbc=True, cell=[[2.738726119142149, 3.27729685611931e-07, 0.006669326642512512], [5.315279775050646e-07, 4.408280604985924, 6.05886813736343e-08], [-0.011689671732760192, 6.334271234516315e-08, 4.744161745826223]], calculator=SinglePointDFTCalculator(...))"
113061,NbOs4Ta,10.576611137629815,0.1647482008333334,146,1.1417434411337446,-0.1164004802703857,True,"Atoms(symbols='TaNbOs4', pbc=True, cell=[[5.096486038406996, 0.02805387857380013, -0.004240562320128282], [2.5726953106955066, 4.415286301839759, 0.006764915501028262], [2.552900174630926, 1.4892827153714308, 4.1849228732825665]], calculator=SinglePointDFTCalculator(...))"
63721,CuNb3Zr2,10.575513817520864,0.10399840833333229,123,0.9815467088147651,-0.0866482257843017,True,"Atoms(symbols='Zr2Nb3Cu', pbc=True, cell=[[3.280543344599569, -7.349964469499212e-08, -1.8652205287824592e-05], [-7.349964469499212e-08, 3.2805714682363436, -2.2551027349599854e-06], [0.00011976098924460829, -6.898943922507215e-06, 10.079683863566927]], calculator=SinglePointDFTCalculator(...))"
5726,Mo2NbOs,10.574424291145784,0.09174097499999867,6,0.8827228070314078,-0.1177524328231811,True,"Atoms(symbols='NbMo2Os', pbc=True, cell=[[2.7523614555605076, 6.034701556532029e-06, -0.002974346557977992], [-1.1517244652715933e-06, 4.408206840533699, -7.309964505608784e-05], [0.9236148156345695, 7.308012430243916e-05, 5.099422173116957]], calculator=SinglePointDFTCalculator(...))"
52056,MoOsRu2,10.549917295926113,0.1012020341666684,10,0.8007744304709546,-0.0022063255310058,True,"Atoms(symbols='MoOsRu2', pbc=True, cell=[[2.70651415955071, -4.179233375542752e-05, 1.715217895077816e-05], [7.123992254532214e-05, 4.679966660154403, -0.016351453403997393], [-5.068910155252338e-05, -1.542499029840145, 4.4272365939500355]], calculator=SinglePointDFTCalculator(...))"
69642,Nb2Ru4,10.546438840068374,0.1059923533333329,5,0.9411684026004807,-0.1902306079864502,True,"Atoms(symbols='Nb2Ru4', pbc=True, cell=[[5.038890902521858, -0.0029212661324211375, 0.0052757456880432735], [2.516640099514609, 4.365282582649393, -0.028631438016287848], [2.5216548301296213, 1.4878663465633315, 4.1075322468673825]], calculator=SinglePointDFTCalculator(...))"
5023,MoTaTi,10.52291994445094,0.06300888333333354,42,0.8568527305820602,-0.0143371820449829,True,"Atoms(symbols='TaTiMo', pbc=True, cell=[[2.8239317729932263, -0.02268734771495839, -0.0005257361319718835], [-1.007925702484635, 2.63802736320325, -0.00032078574548346454], [-0.9080214310003464, -1.3077240792723615, 6.602701280233889]], calculator=SinglePointDFTCalculator(...))"
22447,HfMoTi,10.516648099603522,0.08247416916666772,156,0.9812722681445353,-0.04996919631958,True,"Atoms(symbols='HfTiMo', pbc=True, cell=[[2.9354238264915913, -6.792910784687137e-05, 1.5106622491319156e-05], [3.814824744008013e-05, 4.527755270910527, -0.0004928349215130871], [-4.090954480031731e-05, -2.2630920254825377, 3.9214252100826754]], calculator=SinglePointDFTCalculator(...))"
175624,Mo3OsRu2,10.515560519363548,0.07050690944444504,6,0.9392724405528389,-0.0056549310684204,True,"Atoms(symbols='Mo3OsRu2', pbc=True, cell=[[3.8344496169784033, -3.927409834477209e-06, -4.4786388132138714e-05], [4.271444751080034e-06, 3.8336481122617396, -0.011348107690970046], [-0.00014318423984140775, -1.899209839494648, 5.94051224370074]], calculator=SinglePointDFTCalculator(...))"
31822,Hf2MoTi,10.508063834586363,0.10471201687500198,6,1.0482033788530547,-0.0176948308944702,True,"Atoms(symbols='Hf2TiMo', pbc=True, cell=[[2.996647536512638, 0.00011717195550334189, 0.009362409210428415], [-0.00014095027544864825, 4.519049723824009, -0.0011819889796902152], [-1.311162547182728, 0.002940497767832807, 5.449748077130835]], calculator=SinglePointDFTCalculator(...))"
66191,IrTc4W,10.502312344158266,0.11617918666666682,10,0.8046139002835646,-0.0724130868911743,True,"Atoms(symbols='Tc4IrW', pbc=True, cell=[[3.8457043807816067, -3.843380372828939e-06, 4.736161565387186e-05], [3.7386666795228034e-06, 3.844426524677627, -0.0027797452156444516], [-7.270232943395692e-05, -1.9196446897380033, 5.804371198438027]], calculator=SinglePointDFTCalculator(...))"
23734,CrOsRe4,10.47954248093822,0.18579963833333224,65,0.8546902868962801,-0.020231008529663,True,"Atoms(symbols='CrRe4Os', pbc=True, cell=[[3.836705424853582, 1.651566814784727e-05, -0.000632310284108179], [-1.6809623833851114e-05, 3.8242918348149963, 3.672125372263747e-05], [-1.9158428897709052, -6.578805609525392e-05, 5.747724408989052]], calculator=SinglePointDFTCalculator(...))"
104004,IrMoNbRu,10.425882933875352,0.06503384222222408,47,0.892107963493243,-0.2822926044464111,True,"Atoms(symbols='NbMoIrRu', pbc=True, cell=[[3.8309586245550658, -1.1601480277317154e-08, -7.734320184878102e-09], [-1.1601480277317154e-08, 3.942867651856614, -3.867160092439051e-09], [-7.734320184878102e-09, -3.867160092439051e-09, 3.961193500921908]], calculator=SinglePointDFTCalculator(...))"
183866,Hf2ScZr,10.414520775936408,0.13009867175000167,47,1.0217952563746957,-0.0139271020889282,True,"Atoms(symbols='Hf2ZrSc', pbc=True, cell=[[3.1455768867692857, -1.599559103828215e-05, 3.8901914045541525e-05], [1.903554913610493e-05, 4.4673566171075345, 0.00012831169734569457], [-0.00016295130364989084, -0.00016105093193847703, 6.297559754684829]], calculator=SinglePointDFTCalculator(...))"
101314,IrOsReTc,10.411691892528498,0.1225562250000003,119,0.8336000950552386,-0.1522730588912964,True,"Atoms(symbols='ReTcIrOs', pbc=True, cell=[[3.8479464533063665, 0.0003362158514187488, -0.00012234455559059152], [0.00031455264880458743, 3.847948015910743, -0.0001540851993349132], [-1.9240027067551118, -1.9239839981543219, 3.8165596250692118]], calculator=SinglePointDFTCalculator(...))"
3537,OsReRuTc,10.408245478973933,0.12643399916666986,47,0.8298162631574875,-0.0727841854095459,True,"Atoms(symbols='ReTcOsRu', pbc=True, cell=[[3.826585067004437, 7.290368278882054e-05, -1.1255359885412031e-07], [-7.146377295520404e-05, 3.8237079525047353, 2.328695148705937e-07], [-1.0867244027294373e-07, 2.328695148705937e-07, 3.8238846927042047]], calculator=SinglePointDFTCalculator(...))"
112918,HLa6,10.403965294956395,0.11938934678571478,8,1.5959321181479191,-0.2088867425918579,True,"Atoms(symbols='La6H', pbc=True, cell=[[3.680325569410135, -0.0009771145496987712, 0.0007776192891125865], [-0.0033306707594287243, 6.402685032979219, 0.007301670249679994], [-1.8414326864411938, -1.0777735197250295, 8.861151258188736]], calculator=SinglePointDFTCalculator(...))"
90802,IrReRu2,10.393782017635377,0.12048300250000032,10,0.8134395886148318,-0.1008609533309936,True,"Atoms(symbols='ReIrRu2', pbc=True, cell=[[2.6958247879355905, -4.346037163696866e-06, -2.3992953603337764e-05], [7.571569126240347e-06, 4.658844491277227, 0.006539374421171068], [3.694947490987836e-05, -1.571335736606745, 4.401505328694101]], calculator=SinglePointDFTCalculator(...))"
1574,Re2Tc2,10.339535633815702,0.03571951250000005,51,0.8208030504188328,-0.0061529874801635,True,"Atoms(symbols='Re2Tc2', pbc=True, cell=[[2.7387607192231664, -6.257047864782863e-06, 0.0003952928544329262], [1.028061605600107e-05, 4.408267552416051, -2.544404279169405e-05], [-0.0007006186139509198, 2.7355306532081064e-05, 4.744151114364031]], calculator=SinglePointDFTCalculator(...))"
1837,ReRu3,10.339257364545402,0.18224246499999985,221,0.8000178176417716,-0.0884623527526855,True,"Atoms(symbols='ReRu3', pbc=True, cell=[[3.7956219967812923, 2.0715513335644063e-07, 2.629335711157489e-05], [2.0715513335644063e-07, 3.7955680443776716, 1.6495686545049903e-07], [-2.745189137590165e-05, 1.6495686545049903e-07, 3.7956381625541065]], calculator=SinglePointDFTCalculator(...))"
48137,Hf2NbRh,10.326374520020813,0.056978534374998446,123,1.2810832081020067,-0.4586033821105957,True,"Atoms(symbols='Hf2NbRh', pbc=True, cell=[[3.25667047625765, -1.9906837199920845e-05, -7.495462985422935e-05], [1.705970802582192e-05, 3.2571599023760816, 0.00011987270597939424], [0.00015709957898841687, -0.00017020823622749734, 6.788574692754735]], calculator=SinglePointDFTCalculator(...))"
38972,CrIrOs2,10.306719323972377,0.11827949333333443,25,0.8015888291551648,-0.1167021989822387,True,"Atoms(symbols='CrIrOs2', pbc=True, cell=[[2.6767854425075663, -1.9699994662791685e-05, -1.7946350381110075e-05], [2.774612724933082e-05, 3.756328772728316, -5.945016992078516e-06], [-3.556694640648982e-05, -8.49133020603726e-06, 5.337227227061878]], calculator=SinglePointDFTCalculator(...))"
38201,Mo3N,10.281447111513115,0.0787412956249991,12,0.7126063404209436,-0.3287080526351928,True,"Atoms(symbols='Mo3N', pbc=True, cell=[[2.7937373741424696, 0.0037266191648826466, 0.0008506097558320692], [1.633347559039104, 2.5450925013535795, -0.00022009119500371638], [-0.22030761057808576, 1.9375595753149717, 7.134669624420462]], calculator=SinglePointDFTCalculator(...))"
2887,HfTaVZr,10.271099468291386,0.17418017625000104,99,0.9044548181723419,-0.0425714254379272,True,"Atoms(symbols='HfZrTaV', pbc=True, cell=[[3.2369454966112388, 7.000992083496212e-06, -4.198629599536147e-05], [-9.671000762976517e-06, 3.2369438585691044, 8.208556745160556e-05], [0.00024950330186569394, -0.00015970583204415388, 7.089418227031719]], calculator=SinglePointDFTCalculator(...))"
7142,Be2Nb2,10.261088174694818,0.025507544047619568,63,0.7581448491744175,-0.1594984531402588,True,"Atoms(symbols='Be2Nb2', pbc=True, cell=[[3.3251590683359344, 7.616569449134832e-06, 0.0010912960043777873], [-9.443198051537964e-06, 3.4221511160198705, 9.52711512201737e-05], [-1.6653784094351438, -0.00038974929516995396, 4.551660915345078]], calculator=SinglePointDFTCalculator(...))"
35084,HfOsRuTa,10.240375652129156,0.05638918285714212,216,0.945905547533543,-0.5424138307571411,True,"Atoms(symbols='HfTaOsRu', pbc=True, cell=[[4.498069795399005, 6.069938170965976e-05, -8.275948943792334e-06], [2.2487679744862454, 3.895528270679247, -5.25824982315636e-06], [2.2490650724183454, 1.2985419001831167, 3.672750564287663]], calculator=SinglePointDFTCalculator(...))"
7639,H2Nb2Tc,10.237651856386954,0.07484640399999964,139,0.7748408165625091,-0.3139337301254272,True,"Atoms(symbols='Nb2TcH2', pbc=True, cell=[[3.0739629733303175, 0.00019348054186237422, -0.0003957416521941954], [-0.00021655209225250502, 3.0739658763318705, -0.00047150283634109973], [-1.536522071889946, -1.5365663387742887, 5.838273468257764]], calculator=SinglePointDFTCalculator(...))"
175428,ReRu2Tc,10.229646121666816,0.1669740516666689,99,0.7847533643983192,-0.060409665107727,True,"Atoms(symbols='ReTcRu2', pbc=True, cell=[[2.700461362112826, -1.3649001349782102e-08, -2.0096789587419165e-05], [-1.3649001349782102e-08, 2.7004638435012716, 1.1738141160812608e-06], [6.331498746136921e-05, 3.3085179271871812e-06, 7.633427193335712]], calculator=SinglePointDFTCalculator(...))"
74455,HTiZr3,10.21477185304894,0.1691178570000007,99,1.4116082214093486,-0.2235653400421142,True,"Atoms(symbols='Zr3TiH', pbc=True, cell=[[4.282735845921162, 1.9611768704731342e-07, 1.7084029627232638e-06], [6.973073317237812e-08, 4.280171995040222, -0.00034518456188656474], [1.5732996672017812e-06, 0.0003332344574891484, 4.700236821938699]], calculator=SinglePointDFTCalculator(...))"
6242,Hf2ScZr,10.212491901600028,0.11585757925000095,25,0.9892035346864685,-0.0098689794540405,True,"Atoms(symbols='Hf2ZrSc', pbc=True, cell=[[3.142952981394923, -6.349135171410999e-09, -6.0021549342933874e-05], [-9.523702757116498e-09, 4.468679684244804, 7.777690584978473e-07], [0.00026567321211252184, 1.0888766818969862e-06, 6.308135980244047]], calculator=SinglePointDFTCalculator(...))"
29530,AlIrNb6,10.207791787612683,-0.006835524875000942,200,0.8055922502312327,-0.3343966007232666,True,"Atoms(symbols='Nb6AlIr', pbc=True, cell=[[5.123649282238489, 1.1843904134363435e-05, 9.689995187930121e-06], [-2.0231173670354366e-05, 5.1236414866451465, -5.680091448136435e-05], [-1.4086045495469924e-05, 8.076899042022954e-05, 5.123648685372155]], calculator=SinglePointDFTCalculator(...))"
55577,Hf2MoNb,10.183432094002068,0.054281574375000474,8,1.0070611230164161,-0.0855549573898315,True,"Atoms(symbols='Hf2NbMo', pbc=True, cell=[[3.2604333245075168, -0.01666405283679393, 0.0270272906845021], [-0.016414664162260794, 3.260293968314062, -0.025204720359821416], [0.0615135194449967, -0.06272087332789364, 7.071958792856743]], calculator=SinglePointDFTCalculator(...))"
3877,HfScZr,10.178907075306329,0.12296591700000015,107,0.9847688383066127,-0.0192475318908691,True,"Atoms(symbols='HfZrSc', pbc=True, cell=[[3.1064609044684293, 0.0016197665043412488, -0.00026368525664551733], [-0.0037197131106686794, 3.1064642651166885, -7.752104704335248e-05], [-1.5506028241761123, -1.553653199799687, 6.952900056485062]], calculator=SinglePointDFTCalculator(...))"
974,HfScZr2,10.15814393297419,0.11092381399999951,123,0.939691050154852,-0.0024210214614868,True,"Atoms(symbols='HfZr2Sc', pbc=True, cell=[[4.467010372628699, 9.908231681328224e-05, 7.267810376236205e-05], [-5.498209487904679e-05, 4.451323658968108, 0.00019411493536529613], [-4.078560253330866e-05, -0.00010733955235491074, 4.466998949593403]], calculator=SinglePointDFTCalculator(...))"
64688,HHfTi,10.146191274505142,0.1788141733333335,38,0.8837852730939939,-0.3039772510528564,True,"Atoms(symbols='HfTiH', pbc=True, cell=[[3.0727123235326226, -0.02252154764598302, -6.520153206940885e-05], [-0.8940645124094349, 2.9398494563448136, -4.779414097228224e-06], [0.00010337154380882098, 3.0100669135438654e-05, 4.456786154315743]], calculator=SinglePointDFTCalculator(...))"
83841,HTa3Ti,10.131423402063144,0.16466386200000116,38,0.8897571522399662,-0.235155701637268,True,"Atoms(symbols='Ta3TiH', pbc=True, cell=[[4.690431238146063, 0.0013255944984842027, 0.01167362784649946], [-0.0006876376915209748, 3.2633574893967823, 0.0009278190713484267], [-0.03535940356677658, -0.0010002703613284742, 4.690327260432693]], calculator=SinglePointDFTCalculator(...))"
152671,RuTc3,10.11517693977689,0.07387950250000053,38,0.7720237207988914,-0.0465272665023803,True,"Atoms(symbols='Tc3Ru', pbc=True, cell=[[2.713486644409269, -0.0003388017216564348, 3.165716613095524e-05], [-1.3564330641221842, 2.3501049914797303, -0.0001084419315994778], [-8.85274453131936e-05, 0.0003222932992315289, 8.689191656901423]], calculator=SinglePointDFTCalculator(...))"
40994,OsReRuTa,10.1008118245586,0.16955072166666696,47,0.9415098569856497,-0.0746243000030517,True,"Atoms(symbols='TaReOsRu', pbc=True, cell=[[3.8453484126917195, 4.824473733581945e-05, 2.063627472098595e-05], [-4.6294393318612516e-05, 3.9430291310173327, 2.3162768268226077e-06], [-1.9234829918202526e-05, -2.1216317153249092e-06, 3.9077811319580773]], calculator=SinglePointDFTCalculator(...))"
13203,PtTc2V,10.090672593571284,0.13373704125000074,123,0.8408751409519891,-0.2999448776245117,True,"Atoms(symbols='VTc2Pt', pbc=True, cell=[[3.780950674989353, -8.170908087462962e-05, -1.915050641246497e-05], [7.837789667738592e-05, 3.7809582386027873, -2.853182081269354e-05], [1.9968091575030493e-05, 2.774846014530518e-05, 3.891832065287587]], calculator=SinglePointDFTCalculator(...))"
13864,Ru4YZr,10.086222752650047,0.1096258050000003,216,0.8972240364345332,-0.3549419641494751,True,"Atoms(symbols='YZrRu4', pbc=True, cell=[[5.205458054055925, -0.00021318811560870843, -0.00015928489955157628], [2.6029405389043085, 4.507930059845844, -0.00018438104776671475], [2.6029356419663348, 1.5026820983050027, 4.2502453137893115]], calculator=SinglePointDFTCalculator(...))"
121264,MoOs3Re2,10.080741900017252,0.11098837500000158,10,0.8327391514690764,-0.0671347379684448,True,"Atoms(symbols='Re2MoOs3', pbc=True, cell=[[2.731500693953695, -4.975057730901342e-06, -4.9993128600049054e-05], [7.1855819969306366e-06, 4.7302243105997945, 0.0003076074060619293], [0.0001204019096171542, 0.0018465898351536806, 6.691289383480791]], calculator=SinglePointDFTCalculator(...))"
103593,HNbTa2Ti,10.069974183284398,0.16941462200000146,38,0.8699352401227881,-0.2273288965225219,True,"Atoms(symbols='Ta2TiNbH', pbc=True, cell=[[3.2543725937936254, -4.035657610167451e-06, 0.000533660627449152], [-0.0011398117958339934, 3.3726516632166956, -3.2906890194503355], [0.0011264418299127784, 3.3726244825528897, 3.2906376478641794]], calculator=SinglePointDFTCalculator(...))"
45289,MoReTi2,10.063235340731369,0.10057012583333247,123,0.8061324809127783,-0.2947758436203003,True,"Atoms(symbols='Ti2ReMo', pbc=True, cell=[[3.095785407433984, 1.2527908000515527e-05, 2.0937223213452133e-06], [-2.8617334688162375e-05, 3.0958017441014243, 1.4709259955639017e-07], [4.24064834891295e-06, 3.004444586683714e-07, 6.268107413306251]], calculator=SinglePointDFTCalculator(...))"
10151,IrMoTcW,10.031583365902264,0.19486202749999926,6,0.8600193561843067,-0.1193152666091919,True,"Atoms(symbols='TcMoIrW', pbc=True, cell=[[2.7396186787140526, -2.1185524435213732e-06, -0.25486347503088264], [4.557603846447262e-06, 3.8656205186013, 8.683348925561321e-06], [-2.2268722210407654, 2.1114906020429686e-05, 5.779147996034678]], calculator=SinglePointDFTCalculator(...))"
53729,HTiZr3,10.03116157519809,0.16785168699999975,38,0.9202784644627006,-0.2111960649490356,True,"Atoms(symbols='Zr3TiH', pbc=True, cell=[[3.6633979563925445, -5.697052448150091e-07, 3.2610714013548795e-07], [1.7326897445753035e-06, 4.57773539571167, -0.09940256794449331], [1.1484471935132907e-05, 0.11392805968342004, 5.118424141896644]], calculator=SinglePointDFTCalculator(...))"
9128,IrMo2Ru2W,10.008945589776218,0.05246239805555675,10,0.8300917698668041,-0.1073559522628784,True,"Atoms(symbols='Mo2IrRu2W', pbc=True, cell=[[2.772717562293145, -5.679379141180431e-06, 1.1897101416835036e-05], [1.1936561123026862e-05, 4.73299191120877, 0.004626512442019732], [-3.274310048788738e-05, -1.6454890919107599, 6.61139935707139]], calculator=SinglePointDFTCalculator(...))"
58872,Mo6ReSb,9.966425842962177,0.060874581450891085,200,0.8104687961712252,-0.0024579763412475,True,"Atoms(symbols='ReSbMo6', pbc=True, cell=[[5.016819574660803, 0.0007312006772647332, -0.00030242199676514507], [-0.0009701482667163289, 5.016823825856956, -0.00011079933019578487], [0.0003584365670207951, 0.00019043334383624872, 5.016821710380775]], calculator=SinglePointDFTCalculator(...))"
132662,Ir2MoOs,9.963895275120953,0.09484978937500088,25,0.857588975590195,-0.1691513061523437,True,"Atoms(symbols='MoIr2Os', pbc=True, cell=[[2.712169509268366, 8.207711177378283e-09, -0.0006795574469310349], [8.207711177378283e-09, 3.8800908737138573, 5.471807451585521e-07], [0.0013426967356035874, 7.742607543993513e-07, 5.427544655045013]], calculator=SinglePointDFTCalculator(...))"
103371,HNb5Ta,9.93462694047653,0.04081589428571597,6,0.8443199474218147,-0.0582761764526367,True,"Atoms(symbols='TaNb5H', pbc=True, cell=[[3.29322727216888, -0.00013794211982698186, -5.167017936246006e-05], [0.00015026094883992464, 3.3043210014967213, 0.007400963825318602], [0.0001551610532395883, 0.019328399926021787, 9.941112729561175]], calculator=SinglePointDFTCalculator(...))"
38415,NbTc5,9.932453565047343,0.1401754016666672,1,0.8370800475762417,-0.0450618267059326,True,"Atoms(symbols='NbTc5', pbc=True, cell=[[5.038755124245566, 0.0031524682993986164, -0.00028138149992549573], [2.516612008018007, 4.365218599380767, -0.0027092772958442154], [2.5186141747802058, 1.4584700093090979, 4.113124502554305]], calculator=SinglePointDFTCalculator(...))"
8338,Hf2MoTc,9.92032111949452,0.1030872593749983,123,0.9113063031156285,-0.3083350658416748,True,"Atoms(symbols='Hf2TcMo', pbc=True, cell=[[3.2538524212445803, -9.843178732615836e-09, 1.4042934991865258e-05], [-1.3124238310154448e-08, 4.60300274342531, 3.4451125564155425e-07], [-2.999544665785799e-05, 3.4451125564155425e-07, 4.603094488413217]], calculator=SinglePointDFTCalculator(...))"
134754,HfMo2TaZr2,9.901806972376738,0.10332893916666741,65,0.9106450157168374,-0.0763109922409057,True,"Atoms(symbols='HfZr2TaMo2', pbc=True, cell=[[3.3462871085186805, -2.475324988582821e-07, -4.747198608241027e-07], [2.6109592345325645e-07, 4.713660484224416, -0.0014633917881132711], [6.388372984232924e-06, -2.35517001112466, 7.064858175187946]], calculator=SinglePointDFTCalculator(...))"
1428,IrMo2Os,9.890890410033679,-0.018898796250001126,25,0.8044243577940036,-0.049841284751892,True,"Atoms(symbols='Mo2IrOs', pbc=True, cell=[[2.7593253359354804, -2.4606416048624342e-05, 3.7615614463081898e-06], [4.0411671265159644e-05, 4.423758814448143, -1.1817665226346575e-05], [-4.129346163387877e-05, 4.1575299694766854e-05, 4.781592281654961]], calculator=SinglePointDFTCalculator(...))"
160458,HfMoTcZr,9.833316518527214,0.12422184624999844,47,0.8937421647655249,-0.2531862258911133,True,"Atoms(symbols='HfZrTcMo', pbc=True, cell=[[3.2650528180642815, 5.272192772364557e-07, 1.3180481930911391e-08], [7.446972290964936e-07, 4.575453567029407, 2.6360963861822783e-08], [1.647560241363924e-08, 2.3065843379094935e-08, 4.657460169592392]], calculator=SinglePointDFTCalculator(...))"
3321,HfMoTaTi,9.820174544930193,0.0960057843750004,47,1.5207214384781282,-0.0091757774353027,True,"Atoms(symbols='HfTaTiMo', pbc=True, cell=[[3.246063421019868, -1.9696228927380092e-07, 1.707006507039608e-07], [-2.823126146257813e-07, 4.6167855001164835, 4.20186217117442e-07], [2.4292015677102115e-07, 4.20186217117442e-07, 4.62369032174123]], calculator=SinglePointDFTCalculator(...))"
171446,HIrMoNbTc,9.806583525317214,0.13275086450000018,47,0.830323878867652,-0.0241260528564453,True,"Atoms(symbols='NbTcMoHIr', pbc=True, cell=[[3.879797941937883, 6.0286330309439514e-05, 1.474344972732962e-05], [-5.9968971970902776e-05, 3.9784544312340513, 2.523978292411837e-05], [-1.4962857961379704e-05, -2.5267208953374626e-05, 4.051234947759455]], calculator=SinglePointDFTCalculator(...))"
27906,IrMoOsRu,9.77696844116973,0.13649717375000847,10,0.7838350213462232,-0.0499199628829956,True,"Atoms(symbols='MoIrOsRu', pbc=True, cell=[[2.7162624237205906, 7.96316642625721e-06, -1.1188440646389604e-05], [-1.322170612756058e-05, 4.686461975189836, 0.006974681533411061], [2.255499754112977e-05, -1.5324396225473649, 4.438466634158393]], calculator=SinglePointDFTCalculator(...))"
87129,IrNb4Pt,9.775931280766201,0.1864804950000014,6,0.9746341280435025,-0.4124244451522827,True,"Atoms(symbols='Nb4IrPt', pbc=True, cell=[[3.7878437754906287, 1.4469316102026219e-06, -6.558933644217976e-06], [-1.0650004237531988e-06, 2.9073438158207647, -0.002601340655737529], [-1.2526608432490212e-05, 0.00837640828116637, 9.022424001692434]], calculator=SinglePointDFTCalculator(...))"
2942,ReTaTi2,9.775031171686585,0.13507098250000027,123,0.9322795863675138,-0.173538327217102,True,"Atoms(symbols='TaTi2Re', pbc=True, cell=[[3.0867480517124486, 2.2577380498043488e-05, 1.9098436849281347e-05], [-3.1751967368014064e-05, 3.0867523887333514, -2.5232445624087156e-05], [-3.3651551433602685e-05, 5.7208259232236045e-05, 6.689954596356457]], calculator=SinglePointDFTCalculator(...))"
54122,Ir3Nb3,9.742276106101306,0.12951906999999885,8,0.9566150682517491,-0.4994639158248901,True,"Atoms(symbols='Nb3Ir3', pbc=True, cell=[[3.934290380659292, -0.00013980653231350742, -0.00015462950829679952], [1.96698527001876, 4.516072691187666, -0.0053990547511906205], [-0.00027401477257336785, 1.6788560565400166, 5.319657071346119]], calculator=SinglePointDFTCalculator(...))"
48882,CrIrRu2,9.709420705116813,0.09933903583333503,119,0.7524465421814672,-0.0670012235641479,True,"Atoms(symbols='CrIrRu2', pbc=True, cell=[[3.740061090611944, -0.0011356565798183367, -0.0003696729008721072], [0.0011370790825633954, 3.740188018715925, -0.00038466592847494565], [-1.8702292870990662, -1.8691410195335687, 3.7414063961003197]], calculator=SinglePointDFTCalculator(...))"
5846,IrNb2Os,9.705921911031956,0.08855970874999741,6,0.959945199761474,-0.3915165662765503,True,"Atoms(symbols='Nb2IrOs', pbc=True, cell=[[2.8442944685814293, 2.2441908518611903e-06, 0.1677527926040921], [8.94056678080184e-06, 4.561574356491249, -2.6091735038439913e-06], [-0.8880296924005219, -2.051142176432271e-06, 4.836436526666702]], calculator=SinglePointDFTCalculator(...))"
27573,Hf2Nb3Ru,9.700344292274094,0.041232938333333635,123,0.8539264915698767,-0.2218022346496582,True,"Atoms(symbols='Hf2Nb3Ru', pbc=True, cell=[[3.251766438059076, -6.43433044308892e-06, 8.011120279270362e-05], [6.345376565995524e-06, 3.2517698281901697, -1.9279929212983284e-05], [-0.00030645599035086796, 0.0007154132038176512, 10.08600923474063]], calculator=SinglePointDFTCalculator(...))"
29357,MoRe4Ru,9.672773204903988,0.10296003812499954,1,0.8255320083353705,-0.032031774520874,True,"Atoms(symbols='Re4MoRu', pbc=True, cell=[[4.766799729486117, -9.921381795886331e-05, 0.011272618074217424], [2.3834547577526886, 4.637031145783354, 0.005773950131207035], [2.3741385368583843, 1.2248997358507254, 3.947935479551142]], calculator=SinglePointDFTCalculator(...))"
162171,HfRu4Y,9.670791704623147,0.16966056999999957,216,0.8821413048813873,-0.3395100831985473,True,"Atoms(symbols='YHfRu4', pbc=True, cell=[[5.195316981701279, -7.081616986052469e-05, -6.755040114796077e-05], [2.5976075953440367, 4.499227862391207, -0.0010934224878382916], [2.597635414855292, 1.500738816985458, 4.241516303306631]], calculator=SinglePointDFTCalculator(...))"
69064,Ir2MoNb2Ru,9.666883396423364,0.06591433990740825,1,1.0783637526516467,-0.3532829284667969,True,"Atoms(symbols='Nb2MoIr2Ru', pbc=True, cell=[[2.868622165113105, -0.011141555225205813, 0.002791437516485816], [0.01853457371036315, 4.743465006555294, -0.20186470591958441], [-0.015177220300675707, -2.2303353199921117, 6.820580665046059]], calculator=SinglePointDFTCalculator(...))"
32897,CoTc3,9.627776846089224,0.11006575749999925,221,0.7331325282205237,-0.0403131246566772,True,"Atoms(symbols='CoTc3', pbc=True, cell=[[3.73173921997837, 3.800960261355024e-05, -9.434472451735068e-08], [-3.6277433471411684e-05, 3.73144640414378, 3.7737889806940275e-08], [-9.434472451735068e-08, 3.7737889806940275e-08, 3.73158301907867]], calculator=SinglePointDFTCalculator(...))"
8906,CoTc3,9.625810114870667,0.11016288749999958,123,0.7330053246433856,-0.0403059720993042,True,"Atoms(symbols='CoTc3', pbc=True, cell=[[3.731599249154796, 4.584399209950572e-05, -2.5823347275024218e-05], [-4.247638599287975e-05, 3.731353183613079, -1.1148588377653e-05], [2.3856393484046497e-05, 1.047280195042649e-05, 3.7315687292806192]], calculator=SinglePointDFTCalculator(...))"
29330,HfRhTiZr,9.616148903921136,0.19113035093750064,8,1.0535797341443758,-0.4603614807128906,True,"Atoms(symbols='HfZrTiRh', pbc=True, cell=[[5.419346890693605, -0.01711701418089014, 0.007338690174231323], [1.0212493539031782, 3.148946342992175, 0.000704223184371595], [3.3649754961775518, 0.6482128242967767, 4.198276666089118]], calculator=SinglePointDFTCalculator(...))"
119876,IrMo2OsTcW,9.60761932610595,0.11010723499999742,6,0.8412805346713568,-0.0664796829223632,True,"Atoms(symbols='TcMo2IrOsW', pbc=True, cell=[[3.8648284416995655, -5.350010994050328e-07, 2.2245190640478828e-05], [1.5894960199714745e-07, 3.8621766234603343, 0.0010170409667885282], [4.121059193243115e-05, -1.929970711879198, 5.9275764436407234]], calculator=SinglePointDFTCalculator(...))"
95325,NbTi2Zn,9.59985541814489,0.1045261049999997,123,0.8153513389081922,-0.1042838096618652,True,"Atoms(symbols='Ti2NbZn', pbc=True, cell=[[3.245573781296929, -9.073759398942322e-06, -3.0268852833894822e-05], [9.231392569825143e-06, 3.245674630402026, -1.6091719527621203e-05], [6.32503098167315e-05, 3.450196027697722e-05, 6.055547953029205]], calculator=SinglePointDFTCalculator(...))"
38117,Ir2MoNb2Re,9.576445814273123,0.10218286312499814,10,0.94687581549294,-0.3288466930389404,True,"Atoms(symbols='Nb2ReMoIr2', pbc=True, cell=[[2.788028226170527, -2.771563329127445e-06, -1.7785614983235015e-05], [-4.562594028522686e-06, 4.819831541038027, 0.018292247124507777], [-4.342115882299664e-05, -0.11757126373608286, 6.882101773070731]], calculator=SinglePointDFTCalculator(...))"
102942,CoReRuTc,9.557213186783098,0.14428478916666698,47,0.7600382748700097,-0.0706031322479248,True,"Atoms(symbols='CoReTcRu', pbc=True, cell=[[3.728670427889678, -0.00010470581492261094, -2.8805991485523962e-06], [0.0001025463094010225, 3.719195555884757, -3.569224685506468e-05], [2.8730484299454434e-06, 3.506553721068762e-05, 3.7441886081402975]], calculator=SinglePointDFTCalculator(...))"
60092,V3W,9.554024215572364,0.09590038250000177,123,0.7241646960343424,-0.0693650245666503,True,"Atoms(symbols='V3W', pbc=True, cell=[[3.0111533688199246, -4.522220392397221e-07, -6.905552761363325e-07], [-6.324997440717734e-07, 4.2545127673863625, -1.6805548755530215e-07], [-9.686107191823778e-07, -1.6805548755530215e-07, 4.254352158284683]], calculator=SinglePointDFTCalculator(...))"
191316,NbRuTcV,9.5433327410264,0.08687796749999954,99,0.7793929106080855,-0.3342009782791137,True,"Atoms(symbols='NbVTcRu', pbc=True, cell=[[3.0580241686759937, 1.4803273972839131e-05, 6.626594848266958e-05], [-1.693919256942059e-05, 3.058020322787885, 3.239990969409765e-05], [-0.00016082355860734155, -9.123952848980915e-05, 6.1654839541221484]], calculator=SinglePointDFTCalculator(...))"
30719,Hf2NbRe,9.538214236045961,0.19871221469999867,10,0.9593130163782664,-0.012394905090332,True,"Atoms(symbols='Hf2NbRe', pbc=True, cell=[[2.9459154459075143, -3.273306634289062e-05, 0.015964832645068972], [4.827707015098743e-05, 4.531198451152906, -1.2001724068128823e-05], [-1.0476550737260422, 2.308485694945239e-05, 5.418167172375576]], calculator=SinglePointDFTCalculator(...))"
8732,Hf2MnZr,9.531958140175187,0.11205204937500035,123,0.9225265782167514,-0.1255711317062378,True,"Atoms(symbols='Hf2ZrMn', pbc=True, cell=[[3.167180139649488, -6.832227286879626e-07, -1.5346970358892693e-05], [-6.832227286879626e-07, 3.1671525234036793, -2.3705274581813657e-05], [-3.5862807996971424e-05, -5.544639779964415e-05, 7.378372226804268]], calculator=SinglePointDFTCalculator(...))"
39623,HfTaWZr,9.510540429511769,0.14407087875000002,99,0.9271972346782322,-0.0677094459533691,True,"Atoms(symbols='HfZrTaW', pbc=True, cell=[[3.2673445419141616, 0.00013445488082602545, 6.360488014273817e-05], [-0.00012967773285317024, 3.2673329563378455, 6.567585980410061e-05], [-9.337934811759741e-05, -0.0001520019672858758, 7.1490355931431555]], calculator=SinglePointDFTCalculator(...))"
31596,Nb6RhZn,9.49568858519955,0.0448246378124999,200,0.8076935087474314,-0.1708120107650756,True,"Atoms(symbols='Nb6ZnRh', pbc=True, cell=[[5.1043009339227305, 5.24853925880925e-05, 9.94787302755554e-07], [-9.385196459434428e-05, 5.104295887449642, -0.0], [9.94787302755554e-07, -0.0, 5.104282499270527]], calculator=SinglePointDFTCalculator(...))"
162642,MoNb2OsRu2,9.483090203022092,0.0871909701851834,1,0.9940624824376503,-0.2100212574005127,True,"Atoms(symbols='Nb2MoOsRu2', pbc=True, cell=[[2.9917332021485503, -0.0012791133977137945, 0.0015557476274828139], [0.002056375464209309, 4.598985712562253, 0.005783977612933711], [-0.004200960934519858, -1.1913487921830281, 6.612827356202013]], calculator=SinglePointDFTCalculator(...))"
83507,ReRuTc4,9.468364165835315,0.02205042388888856,38,0.7437681121560445,-0.0501354932785034,True,"Atoms(symbols='ReTc4Ru', pbc=True, cell=[[4.345115807593846, 4.485707057320035e-05, -2.0804740010843387e-05], [-5.258817682538652e-05, 4.723882376888427, -0.00040035647677491733], [4.6592625037976844e-05, -2.361619032720759, 4.088967769691503]], calculator=SinglePointDFTCalculator(...))"
17065,ReTcW2,9.46507753650028,0.09508900249999819,44,0.8128011458760633,-0.0644987821578979,True,"Atoms(symbols='ReTcW2', pbc=True, cell=[[3.1108615861375495, -0.0003429815093293339, 0.00040223502681146833], [0.0004922404096040242, 4.389423344995975, -0.00045121487564773994], [-1.556927411084432, -2.194073988493626, 4.406515077740473]], calculator=SinglePointDFTCalculator(...))"
38514,HHfScZr2,9.429274585162155,0.1775405284999998,123,0.8873243908409675,-0.2064864635467529,True,"Atoms(symbols='HfZr2ScH', pbc=True, cell=[[4.519334626831028, -3.614980188297938e-05, -2.2710015003756367e-08], [2.4381472108032836e-05, 4.460681793563039, -3.043142010503353e-07], [-2.2710015003756367e-08, -3.043142010503353e-07, 4.460692508148118]], calculator=SinglePointDFTCalculator(...))"
38262,MoTa2Zr,9.427446560504722,0.1123777050000001,6,0.8964062805231989,-0.0146077871322631,True,"Atoms(symbols='ZrTa2Mo', pbc=True, cell=[[2.887598479935402, 1.3384419363654253e-06, 0.0016226924443171681], [2.126277561928444e-06, 4.59217063688598, -3.9098905580915595e-06], [-1.0440753817521389, -5.022818207585787e-06, 5.383886101031797]], calculator=SinglePointDFTCalculator(...))"
91070,IrRe2Ru,9.422229546475402,0.10163082250000066,119,0.7902925395821647,-0.1391087770462036,True,"Atoms(symbols='Re2IrRu', pbc=True, cell=[[3.852735719380829, 5.3732320919124736e-05, 1.571541859297393e-05], [5.380632165103714e-05, 3.852732759351553, -2.7068688778480498e-06], [-1.9264238665601463, -1.926402079186761, 3.8055257022344264]], calculator=SinglePointDFTCalculator(...))"
7133,Mo2Zr2,9.3761405003467,0.14200493749999943,11,0.8205987517860983,-0.050757884979248,True,"Atoms(symbols='Zr2Mo2', pbc=True, cell=[[3.0193346198772946, 3.0746886579439165e-09, 0.002939230174429539], [1.2298754631775666e-08, 4.486726249063761, -7.071783913271007e-08], [-1.2349114250125737, -9.839003705420533e-08, 5.361320377048321]], calculator=SinglePointDFTCalculator(...))"
108125,MoNbZr,9.341943942620514,0.10157861499999932,42,0.8062038799595067,-0.0123096704483032,True,"Atoms(symbols='ZrNbMo', pbc=True, cell=[[2.9387904628949024, 0.0035737933268940956, 0.00031537958515041425], [-1.1478712316945803, 2.7053411371093135, 0.00026978167154146314], [-0.894805444115294, -1.353436532719582, 6.802554754393844]], calculator=SinglePointDFTCalculator(...))"
4138,Hf2ScZr,9.318050738907484,0.10627206675000167,164,0.8779069406621429,-0.009103775024414,True,"Atoms(symbols='Hf2ZrSc', pbc=True, cell=[[3.19246643474968, -3.088417538075764e-05, 2.6892035580442177e-05], [-1.596113162491039, 2.764797260624148, -2.7247323103123973e-05], [-0.00015807710850084086, 7.90159450444316e-05, 10.146822760795624]], calculator=SinglePointDFTCalculator(...))"
59963,GaPbZr6,9.282262563442128,0.10181159812499985,200,0.9253843101396086,-0.2681049108505249,True,"Atoms(symbols='Zr6GaPb', pbc=True, cell=[[5.531278461145873, -1.2795499598236552e-05, -1.5767285219211737e-05], [4.954471273006932e-05, 5.5313226286087716, -0.00010669271093569024], [-3.4371784635052617e-06, 0.0002048906007095363, 5.5312889577169715]], calculator=SinglePointDFTCalculator(...))"
21580,MoNbRu2,9.275648885688444,0.1403175793750009,65,1.5568860463190441,-0.1983814239501953,True,"Atoms(symbols='NbMoRu2', pbc=True, cell=[[2.8349721703167754, -0.003536655307537644, 0.000726394653835437], [0.0032922056620861674, 2.8349726362364476, 0.0007402830865418925], [-0.0023055661106924303, -0.0023495264946059055, 7.424206710667639]], calculator=SinglePointDFTCalculator(...))"
109254,CrIrRe2,9.259375523199953,0.13682012750000005,10,0.7824375664825168,-0.1741231679916381,True,"Atoms(symbols='CrRe2Ir', pbc=True, cell=[[2.6852381345379355, 2.3367981419104474e-05, 1.200929903557225e-05], [-5.3673162890585785e-05, 4.661113463275065, -0.0031196472066721817], [-1.633318886892163e-05, -1.5505025276052231, 4.40339979947419]], calculator=SinglePointDFTCalculator(...))"
159021,NbReTcW,9.241747404861917,0.15593038499999778,6,0.779034870759943,-0.1214483976364135,True,"Atoms(symbols='NbReTcW', pbc=True, cell=[[2.7382407544814424, 1.0363938524595608e-06, -0.0019836717262865866], [1.6699000142847078e-06, 4.424101128509667, -2.720186545731662e-06], [0.9540251979156924, -2.7757572616812365e-06, 5.089179634225024]], calculator=SinglePointDFTCalculator(...))"
15750,Hf2Re4,9.231726285541873,0.09392666583333487,155,1.1635028738792321,-0.3948230743408203,True,"Atoms(symbols='Hf2Re4', pbc=True, cell=[[4.479268057427447, 0.7023023209517464, -2.6178258455784427], [2.32381029718511, 4.6914585139068326, 8.412473292847484e-07], [4.479265798861248, 0.7023036193987111, 2.617827912120795]], calculator=SinglePointDFTCalculator(...))"
164132,Os4Sc2,9.224504635147285,0.08694330916666715,9,0.8897555708751709,-0.4190229177474975,True,"Atoms(symbols='Sc2Os4', pbc=True, cell=[[5.1779081827771805, 0.0014719228804544713, -0.0029476398222857245], [2.5877374029823845, 4.484944337053048, 0.0015635305972051883], [2.590874677748098, 1.4926415421768797, 4.227293690278417]], calculator=SinglePointDFTCalculator(...))"
1886,Os4Sc2,9.214612788501732,0.08651216916666726,5,0.8890960807394779,-0.4173451662063598,True,"Atoms(symbols='Sc2Os4', pbc=True, cell=[[5.178058042474518, -0.003180629854829252, 0.007118174076549325], [2.5915749345319874, 4.482522948076832, -0.00044807956710831944], [2.5841146275386384, 1.4969631589790813, 4.229935987239636]], calculator=SinglePointDFTCalculator(...))"
66467,HHf3Sn,9.211559128335352,0.13037849399999946,221,1.23287221209919,-0.4227372407913208,True,"Atoms(symbols='Hf3SnH', pbc=True, cell=[[4.393084324114865, -5.773918215579198e-08, -3.500771028861172e-05], [-5.773918215579198e-08, 4.393279495874979, 1.3013523362805422e-06], [3.61180791762231e-05, 1.3013523362805422e-06, 4.39303017808643]], calculator=SinglePointDFTCalculator(...))"
46885,HTi2Zr2,9.194164886409679,0.17929490299999973,25,0.8321110193931043,-0.1557391881942749,True,"Atoms(symbols='Zr2Ti2H', pbc=True, cell=[[5.02339660333902, -1.076623727198045e-05, -0.00044193372635956726], [-7.729345815072756e-06, 3.5849466738264093, 2.0313655230151794e-08], [0.00039983367589507775, 2.539206903768974e-08, 4.465818517514478]], calculator=SinglePointDFTCalculator(...))"
181892,IrMo2Os2Zr,9.176072367974196,0.18324299749999895,10,0.8857279109473171,-0.3356658220291137,True,"Atoms(symbols='ZrMo2IrOs2', pbc=True, cell=[[2.883831577994136, 3.000521775717784e-07, 1.9885810984168844e-06], [-8.825064046228777e-07, 4.741420621077687, -0.4240135044142673], [-5.912792910973281e-07, -1.4615728278459665, 6.9331944536939725]], calculator=SinglePointDFTCalculator(...))"
120361,HMo2NTc2,9.162817719800032,0.06529521000000038,6,0.6739146400444016,-0.2087217569351196,True,"Atoms(symbols='Tc2Mo2HN', pbc=True, cell=[[2.8917692761057254, -3.905780243799261e-05, -6.907450080888096e-06], [6.045838102825358e-05, 4.546453774995589, 0.0006877642963809169], [9.777549440245728e-06, -0.07111257990426026, 5.040994794279907]], calculator=SinglePointDFTCalculator(...))"
45553,Ru2SiTc,9.140218033844043,0.043599024375000184,6,0.7731514262331871,-0.3396177291870117,True,"Atoms(symbols='SiTcRu2', pbc=True, cell=[[2.8148506416562484, 7.595184309670082e-05, 0.00043707472670925513], [-7.645376499888556e-05, 2.8148509904494348, -8.699979637868807e-06], [-0.001042803719703467, 1.9549432732551356e-05, 6.567607947678001]], calculator=SinglePointDFTCalculator(...))"
12891,OsRu2Ta,9.064389218681207,0.04371035666666856,123,0.8055597308159503,-0.2086985111236572,True,"Atoms(symbols='TaOsRu2', pbc=True, cell=[[3.876943053048414, 3.0231339618368678e-05, 1.2050994208774137e-05], [-3.366832235693613e-05, 3.8772142650819825, 4.2168682174442186e-05], [-1.4171185385017001e-05, -4.943454990226893e-05, 3.847415072156429]], calculator=SinglePointDFTCalculator(...))"
64403,MoNbScZr,9.042659832909859,0.108753573125,99,0.895596026792768,-0.0620170831680297,True,"Atoms(symbols='ZrScNbMo', pbc=True, cell=[[3.2593147035647183, 2.8148820247303995e-07, -2.0326759844464934e-05], [2.8148820247303995e-07, 3.2593170283261084, 6.617290896254453e-05], [-4.506791702888942e-05, 0.00014736072980759215, 7.332602629610517]], calculator=SinglePointDFTCalculator(...))"
6986,MoNbZr3,9.031457351533419,0.03280801300000036,8,0.8201361968884168,-0.0610259771347045,True,"Atoms(symbols='Zr3NbMo', pbc=True, cell=[[3.316636513075396, 0.00032280800825103116, -0.0009269319153083445], [1.6636766821385114, 5.385734232019713, -0.005289223491615587], [1.6598756181764829, -0.10170543454180443, 5.50956908651073]], calculator=SinglePointDFTCalculator(...))"
25139,HRhTc2V,9.001866915176256,0.19847385294999853,123,0.7245611362257524,-0.0363898277282714,True,"Atoms(symbols='VTc2HRh', pbc=True, cell=[[3.8242761827895144, -1.565435209450612e-05, -1.5611907462255798e-05], [1.624085974014697e-05, 3.824291273785581, 3.085338904305421e-05], [1.51836025368207e-05, -3.042894272055097e-05, 3.855958604248285]], calculator=SinglePointDFTCalculator(...))"
84455,ReTcVW,8.988166961175061,0.1613205462499998,2,0.7295552506354211,-0.1834393739700317,True,"Atoms(symbols='VReTcW', pbc=True, cell=[[2.6801552327805327, -0.0012900342052425949, -0.004243970100951807], [-0.9238223919889532, 4.9700232203914805, -0.004975946977773582], [-0.8160929702405622, -2.504583203170119, 4.3141999636972415]], calculator=SinglePointDFTCalculator(...))"
116709,H2Nb8,8.95806381191239,0.03391793099999951,9,0.7722757409730814,-0.0105866193771362,True,"Atoms(symbols='Nb8H2', pbc=True, cell=[[6.629847669388038, -0.030615094923103388, 0.01518117141152207], [3.3283607796264705, 4.691586112694856, 0.008696812524908483], [3.3148246787722746, 0.022854971691237482, 4.716048934967785]], calculator=SinglePointDFTCalculator(...))"
2515,NbTcTi2,8.952374727240997,0.06118261500000166,123,0.8148775672915707,-0.1947530508041381,True,"Atoms(symbols='Ti2NbTc', pbc=True, cell=[[3.0650815889256604, 4.495007808472959e-05, -1.0570466319345231e-05], [-9.858736065850135e-05, 3.0650842292153104, 3.660725920221731e-05], [2.5177380153063264e-05, -0.00011588420531079066, 6.729801240436262]], calculator=SinglePointDFTCalculator(...))"
100027,CrHf2Ta,8.951009313328596,0.1910892056250013,99,0.9552380616007321,-0.0443477630615234,True,"Atoms(symbols='Hf2TaCr', pbc=True, cell=[[3.1598443390246005, 0.00010033035453827509, 1.9845319245258e-05], [-0.00010777593806478726, 3.1598232017339205, 0.00013571123152736952], [-0.00035185964755388393, -0.00018970287727981954, 7.138913961337732]], calculator=SinglePointDFTCalculator(...))"
71176,HHfTiZr2,8.9069160937098,0.18252161299999958,25,0.8685749853689396,-0.1817798614501953,True,"Atoms(symbols='HfZr2TiH', pbc=True, cell=[[3.6411310471135545, -2.0354677720139263e-06, -1.459698003834688e-07], [-1.844896088179953e-06, 5.116423835940127, 0.0006864878617700992], [8.920376690100871e-08, -0.0002804363695533848, 4.566927366758311]], calculator=SinglePointDFTCalculator(...))"
20963,MoOsRuTc,8.8958727933018,0.057940124583334196,25,0.7270391549381159,-0.007120132446289,True,"Atoms(symbols='TcMoOsRu', pbc=True, cell=[[2.7314168744514795, -1.3814196768540381e-08, 0.0002884708197600139], [-2.4865554183372683e-08, 4.366658135810828, -1.7405887928360878e-07], [-0.00047502049576173694, -1.6577036122248455e-07, 4.740584203945566]], calculator=SinglePointDFTCalculator(...))"
13888,HLa4,8.885217274460858,0.09469065350000072,160,1.1860083932831387,-0.2011446952819824,True,"Atoms(symbols='La4H', pbc=True, cell=[[5.171074304269896, 4.867602031329053e-07, -6.43793277360999e-05], [4.867602031329053e-07, 5.171067076939054, -1.7988964028824758e-07], [5.0935222560439987e-05, -1.7988964028824758e-07, 5.171063659035889]], calculator=SinglePointDFTCalculator(...))"
2761,HLa4,8.878500264685954,0.09470687550000001,38,1.1854591071348761,-0.2011222839355468,True,"Atoms(symbols='La4H', pbc=True, cell=[[5.171083620112747, -1.8095289181667624e-05, -7.794201898688473e-05], [1.4121732990020728e-05, 5.1710581703054475, -6.634410264588607e-05], [6.451870066703362e-05, 5.496840915448683e-05, 5.1710678105443035]], calculator=SinglePointDFTCalculator(...))"
174002,Ir3Ta3,8.877300886875855,0.037157598333331876,10,1.1311073898315644,-0.5790860652923584,True,"Atoms(symbols='Ta3Ir3', pbc=True, cell=[[2.8348328287934996, -0.00018246985166915059, -1.3329010325047521e-06], [0.0013781652049870803, 4.829991403411013, 0.0004968940391024383], [-0.0004927290816825901, -1.836059548805002, 6.869039221532244]], calculator=SinglePointDFTCalculator(...))"
31438,HLa4,8.869666170244432,0.09471212550000097,8,1.1855757728090852,-0.2011551856994629,True,"Atoms(symbols='La4H', pbc=True, cell=[[5.171062351064177, 2.4761384780364308e-05, -4.818946422640131e-05], [-1.9708580834798513e-05, 5.171056943770321, -5.6057023877769196e-05], [3.832194657354245e-05, 4.426891163617696e-05, 5.171077811056982]], calculator=SinglePointDFTCalculator(...))"
87173,IrOsReRu,8.861720973922163,0.0984432266666655,47,0.7752474382364317,-0.0782897472381591,True,"Atoms(symbols='ReIrOsRu', pbc=True, cell=[[3.8083174942206814, -1.6543335265355353e-07, -7.963884650996646e-07], [-1.6543335265355353e-07, 3.8330914619526824, -6.925117087823171e-08], [-7.963884650996646e-07, -6.925117087823171e-08, 3.822846705348491]], calculator=SinglePointDFTCalculator(...))"
179966,IrMoOs2,8.85840610275633,0.09978839374999993,10,0.7686759984747875,-0.0509225130081176,True,"Atoms(symbols='MoIrOs2', pbc=True, cell=[[2.7210214460921542, -1.0053161237179475e-05, 3.451952596864941e-05], [1.8462010896661374e-05, 4.709284288778989, -0.005237705267442756], [-6.121962049829813e-05, -1.5623655116711563, 4.454088492539956]], calculator=SinglePointDFTCalculator(...))"
31262,Nb2TcZr,8.847972279554401,0.08437250000000063,47,0.788464087401651,-0.1614917516708374,True,"Atoms(symbols='ZrNb2Tc', pbc=True, cell=[[3.254185348339873, 7.032894249373023e-07, -2.2018874519065072e-07], [-5.9155185275100187e-08, 4.4722752609379155, 5.5040613499298775e-05], [-7.558718118485024e-07, -6.057819612088455e-05, 4.756369967337904]], calculator=SinglePointDFTCalculator(...))"
394,Be4Nb6,8.844402587838562,-0.005519688999998884,127,0.725350282737684,-0.1080489158630371,True,"Atoms(symbols='Be4Nb6', pbc=True, cell=[[3.331120758934531, -4.773315785852673e-05, -0.00013718898125619815], [8.530379419163366e-05, 6.452027308023769, -0.0001310941666539965], [0.00024111450838571526, 0.00012611915196763932, 6.4519246405851]], calculator=SinglePointDFTCalculator(...))"
45300,RhScZr2,8.820292593380403,0.14140994499999948,99,0.8511010212719418,-0.4823269844055176,True,"Atoms(symbols='Zr2ScRh', pbc=True, cell=[[3.258500112720124, 0.00011914355624316222, 6.923970460181565e-05], [-0.00011527244224121922, 3.2585013187463034, -9.358368807074067e-05], [-0.00015362538919934884, 0.0002149289814796939, 7.401638705348671]], calculator=SinglePointDFTCalculator(...))"
30278,HgLa5,8.809188918079697,0.10683310000000024,1,1.8961008904797536,-0.1316298246383667,True,"Atoms(symbols='La5Hg', pbc=True, cell=[[6.135147812675826, -0.1327247585097791, -0.059099287201990675], [3.357841896022779, 5.328008965209271, 0.0003530066727531818], [3.1825582451818817, 1.7220426740222035, 5.590223519365001]], calculator=SinglePointDFTCalculator(...))"
180836,MoOsReRu,8.792611892600076,0.10999724583333581,35,0.7590397864092389,-0.0327005386352539,True,"Atoms(symbols='ReMoOsRu', pbc=True, cell=[[2.7283747610331495, -0.002609714920369042, 6.16239284123036e-05], [0.002543803894216888, 2.7283761091944325, -3.7960803073953483e-05], [-0.00012821592764596419, 0.00013838916922798817, 7.702232444768176]], calculator=SinglePointDFTCalculator(...))"
9339,GaNbZr2,8.78109449792951,0.11650187125000055,123,0.840318717107988,-0.3058686256408691,True,"Atoms(symbols='Zr2NbGa', pbc=True, cell=[[3.4727626375810803, -2.7543863824151045e-05, -3.2016318898324944e-06], [2.2292064145215286e-05, 3.472182805195138, 6.227735715529436e-06], [-5.802957800321396e-06, 1.1258370033654396e-05, 6.275340397448175]], calculator=SinglePointDFTCalculator(...))"
7980,TcTiV2,8.778199290975882,0.1619884875000004,6,0.679019094184591,-0.2297083139419555,True,"Atoms(symbols='TiV2Tc', pbc=True, cell=[[2.721162299868495, 2.3295785655472466e-05, 0.0038263947068781904], [3.577743976995665e-05, 4.179722556574783, -3.709824972916133e-05], [-0.9449418794313363, -5.117037916952114e-05, 4.858383229350827]], calculator=SinglePointDFTCalculator(...))"
96196,GeHfNb6,8.742166463455929,0.09760956328124948,200,0.7820337981399033,-0.1721042394638061,True,"Atoms(symbols='HfNb6Ge', pbc=True, cell=[[5.204138388744068, 1.9053420976842683e-06, -2.010901216669546e-06], [1.9053420976842683e-06, 5.2043140232841925, 2.2167414986908382e-06], [-2.010901216669546e-06, 2.2167414986908382e-06, 5.204213900459835]], calculator=SinglePointDFTCalculator(...))"
34222,La3Mg,8.738245695012314,0.08923883499999974,71,1.3722960820009702,-0.0082020759582519,True,"Atoms(symbols='La3Mg', pbc=True, cell=[[4.972931431219083, 0.0018400036261400326, 0.00028368565339964775], [-0.0013120272144017345, 4.973163519303916, 0.00046743257198801185], [-2.4860854788894815, -2.4879319397847213, 5.084239796286367]], calculator=SinglePointDFTCalculator(...))"
33921,IrZr3,8.734491491049551,0.08758510062500058,123,1.3519698359364123,-0.528308629989624,True,"Atoms(symbols='Zr3Ir', pbc=True, cell=[[3.304215494237586, 1.960068740879844e-05, 3.39129880583716e-05], [-1.6544952904570598e-05, 3.3041827975451588, -4.965152029770431e-06], [-4.582268829622363e-05, 2.8158076947355803e-06, 7.2102181378788055]], calculator=SinglePointDFTCalculator(...))"
1360,OsTc3,8.734011139698344,0.14186655000000137,6,0.7414466090079795,-0.0014806985855102,True,"Atoms(symbols='Tc3Os', pbc=True, cell=[[2.7024065436419593, 2.090637218330052e-05, -0.0029329039497972783], [-3.113442112508493e-05, 4.2070436757677765, 2.5772063555552812e-05], [-1.3442526576206013, -1.6250808817589684e-05, 4.980330125576731]], calculator=SinglePointDFTCalculator(...))"
71329,IrMoNbOs,8.732299969422057,0.06827223999999887,47,0.8037318096348828,-0.2625020742416382,True,"Atoms(symbols='NbMoIrOs', pbc=True, cell=[[3.8720032358789167, -9.651916934650125e-07, 2.276762664020292e-06], [6.382719263236374e-07, 3.931638639905582, -3.7362259101871454e-05], [-2.588114823202554e-06, 3.5583659892542785e-05, 3.965854233978286]], calculator=SinglePointDFTCalculator(...))"
42856,IrReRu2,8.714419080081937,0.08913039499999975,123,0.7492799136917028,-0.0726652145385742,True,"Atoms(symbols='ReIrRu2', pbc=True, cell=[[3.8142066715933933, 2.3199901503750254e-05, -1.5762059327298762e-06], [-2.337332269439291e-05, 3.8142082169688925, 4.006800264692549e-05], [1.8459722292851117e-06, -3.984062819697178e-05, 3.7948754191800655]], calculator=SinglePointDFTCalculator(...))"
4281,IrZr3,8.709109216250672,0.0863777056250008,47,1.3491482968587905,-0.5187976360321045,True,"Atoms(symbols='Zr3Ir', pbc=True, cell=[[3.303418392103109, 3.3157794021888077e-09, 1.6817633127901633e-05], [3.3157794021888077e-09, 3.305864923356117, 2.652623521751046e-08], [-3.77733589497349e-05, 5.636824983720973e-08, 7.208291819214758]], calculator=SinglePointDFTCalculator(...))"
832,HfReTi2,8.707670429390825,0.1260330724999985,123,0.7839175268511254,-0.2220364809036255,True,"Atoms(symbols='HfTi2Re', pbc=True, cell=[[3.1380202355761986, 1.94366405497448e-05, -4.017096549554521e-06], [-1.8565156421021175e-05, 3.1380431867786545, 9.85985693081474e-06], [-4.0310911851982585e-05, -5.451228643136575e-05, 6.870010151285573]], calculator=SinglePointDFTCalculator(...))"
131454,Mo2NRe,8.679758322416454,0.058520647812500215,8,0.7222395538531092,-0.1622811555862426,True,"Atoms(symbols='ReMo2N', pbc=True, cell=[[2.843023643044744, 0.017614777000004057, -0.02012646022689464], [1.4060115393692276, 2.4710920098079505, -0.02008229212520254], [0.05087699863132682, 0.029700501925352184, 7.098069775293613]], calculator=SinglePointDFTCalculator(...))"
6941,Cr2IrRe,8.668788090364945,0.16929350250000041,123,0.9429934280122457,-0.0276461839675903,True,"Atoms(symbols='Cr2ReIr', pbc=True, cell=[[3.639542680986682, 0.0007494678449758196, -0.0007997929528593545], [-0.0008097711446309425, 3.768625269407147, -0.00045896787822467464], [0.0008640614802815768, 0.0004764604660476, 3.7685979144006256]], calculator=SinglePointDFTCalculator(...))"
23599,HNbRu3,8.66396293250261,0.08576339899999752,123,0.7048445993692184,-0.1181921958923339,True,"Atoms(symbols='NbHRu3', pbc=True, cell=[[3.8500825400599488, 4.747712474016425e-05, -6.730642620197749e-05], [-5.1845035829882554e-05, 3.8498492373987148, -8.603106382251253e-06], [8.318938440042591e-05, 1.0351832180458407e-05, 3.9916373810877133]], calculator=SinglePointDFTCalculator(...))"
85792,Mo2NRe,8.658910545231228,0.058040482812499405,12,0.7216806252563213,-0.162276029586792,True,"Atoms(symbols='ReMo2N', pbc=True, cell=[[2.8428490934848862, 0.025398910455837073, -0.021511579075221426], [1.3987879699466619, 2.475045924242882, -0.021495239017497073], [0.054569591503662015, 0.03213789696368488, 7.097854291442552]], calculator=SinglePointDFTCalculator(...))"
100749,IrOsRuTc,8.65572864767717,0.12192464833333361,10,0.7243730004657705,-0.0922256708145141,True,"Atoms(symbols='TcIrOsRu', pbc=True, cell=[[2.693564753859095, -2.951041432879198e-05, -1.2430160698203845e-05], [6.797293739057172e-05, 4.665490553966321, 0.00021384172978006034], [1.8091852794826116e-05, -1.5486658597408736, 4.401600124135447]], calculator=SinglePointDFTCalculator(...))"
189276,HfTi2ZnZr2,8.604150953400296,0.14356743333333455,123,0.911778017535563,-0.0932624340057373,True,"Atoms(symbols='HfZr2Ti2Zn', pbc=True, cell=[[3.099835291116289, -2.291053962932845e-05, -2.578855783069864e-05], [2.950599800746846e-05, 3.0998096035415528, -3.5571295137987646e-05], [8.007328272101655e-05, 0.00012479301510217542, 11.774044453284844]], calculator=SinglePointDFTCalculator(...))"
171827,ReRu2W,8.588396578363772,0.13367811625000137,25,0.7572434122933273,-0.0751786231994628,True,"Atoms(symbols='ReRu2W', pbc=True, cell=[[2.7167835675782657, 6.585663004741926e-08, 5.800871496676847e-06], [1.070170238270563e-07, 4.4098887388473305, -3.539793865048786e-07], [1.0243449998625671e-05, -3.8416367527661244e-07, 4.757352654538993]], calculator=SinglePointDFTCalculator(...))"
131096,IrMoNbTc,8.569009895134304,0.16324228979166655,6,0.7905436023847524,-0.2641530036926269,True,"Atoms(symbols='NbTcMoIr', pbc=True, cell=[[2.725706438479304, 8.118284137140217e-07, 0.12745387968650396], [-7.51285277776027e-07, 4.38692323948938, 9.631862535590089e-07], [-1.1691185732777007, -2.1823048544922687e-06, 5.053086092759108]], calculator=SinglePointDFTCalculator(...))"
29349,Ir2Mo3Tc,8.562214991518115,0.07335399416666455,38,0.7509509140991327,-0.1203556060791015,True,"Atoms(symbols='TcMo3Ir2', pbc=True, cell=[[3.8433477505664726, -3.755224720522235e-07, -3.987506661997837e-07], [3.948793005085237e-07, 3.880977436699617, -0.0025106696921930326], [-4.31657274575494e-06, 1.9429970245732473, 5.900364132951836]], calculator=SinglePointDFTCalculator(...))"
38903,HHf2Ti2,8.557978667046378,0.19368953400000066,123,2.269881960634472,-0.1907824277877807,True,"Atoms(symbols='Hf2Ti2H', pbc=True, cell=[[4.4208933560318995, -3.875158572323628e-05, -8.393336977175847e-05], [1.297249913183552e-05, 4.42101499170817, -8.784798841748692e-05], [3.8697776532229705e-05, 4.03210204609281e-05, 4.013573743505447]], calculator=SinglePointDFTCalculator(...))"
41781,NbTlZr2,8.545555855107752,0.12079763249999953,65,0.8916507448282717,-0.0785403251647949,True,"Atoms(symbols='Zr2NbTl', pbc=True, cell=[[3.8740619364804765, -1.0949310274477974e-07, 1.0949310274477974e-06], [4.731666225756553e-07, 4.597318501526145, 0.0038061210282549296], [-1.1066624313133093e-06, -0.002439561075705065, 4.597395052846835]], calculator=SinglePointDFTCalculator(...))"
193115,Ir2Tc2Zr2,8.531915095700871,0.044516032916670056,1,0.8496796387598439,-0.5629562139511108,True,"Atoms(symbols='Zr2Tc2Ir2', pbc=True, cell=[[4.968945130980587, -0.002969278303937723, -0.002875907384694202], [2.4871008482728865, 4.604144228871625, -0.003000855670237788], [2.487759484074923, 1.5415473660681307, 4.337965667112963]], calculator=SinglePointDFTCalculator(...))"
65085,HfSc,8.511643643864016,0.14067619000000064,166,0.8749266332440614,-0.0018937587738037,True,"Atoms(symbols='HfSc', pbc=True, cell=[[3.1333389398959786, -0.00026527642924016457, 0.00011995805284389551], [1.5673360207628626, 2.7131630606534696, 0.00012191153906408839], [1.5667707155754194, 0.9042170993896524, 5.227080787422282]], calculator=SinglePointDFTCalculator(...))"
605,RuTc3,8.5107801426448,0.015418939999999992,44,0.6897524012777716,-0.0537164211273193,True,"Atoms(symbols='Tc3Ru', pbc=True, cell=[[2.71165432887604, -0.0006513330748184836, -0.00010882634768569984], [0.001153252948879564, 4.7181628919387855, 0.00012937230976075063], [-1.3562413446819184, -2.3588764763224876, 4.3209737634033365]], calculator=SinglePointDFTCalculator(...))"
75087,HfPbTiZr,8.48232265940256,0.11137802391666529,47,1.2989524510435912,-0.0452951192855834,True,"Atoms(symbols='HfZrTiPb', pbc=True, cell=[[4.317104063460134, 3.508386072284208e-05, -6.999869481588911e-05], [-1.1086413308095126e-05, 4.214843459514025, -3.948288711366169e-06], [3.4516104607376695e-05, 1.4648974582236718e-06, 4.513601824274903]], calculator=SinglePointDFTCalculator(...))"
581,Re3Ru,8.456447572474264,0.14340983249999972,221,0.771552499712199,-0.0403450727462768,True,"Atoms(symbols='Re3Ru', pbc=True, cell=[[3.854192179485256, -3.4218435613081905e-05, -3.533958572190643e-05], [3.5966339775797925e-05, 3.8541870914880603, -2.7008817552168633e-05], [3.696291765030861e-05, 2.826232565995161e-05, 3.8541864919841826]], calculator=SinglePointDFTCalculator(...))"
441,MoTc3,8.439388043111292,0.12007079750000038,10,2.8619259280977403,-0.0419672727584838,True,"Atoms(symbols='Tc3Mo', pbc=True, cell=[[2.684547005565662, 3.3266909928611025e-05, -0.03588248212433181], [-4.4591527288285565e-05, 4.207174182648929, -1.924995349801649e-05], [-1.1918254668417676, 3.7337921622366306e-05, 5.141783520599738]], calculator=SinglePointDFTCalculator(...))"
104909,ReTc2Ti,8.436977060475158,0.11025880749999928,47,0.7366463511647569,-0.3055298328399658,True,"Atoms(symbols='TiReTc2', pbc=True, cell=[[3.050219955906562, -4.642033961515349e-05, -3.59110634460507e-05], [6.54153858873387e-05, 4.311696661014393, 1.509301094670384e-05], [5.0161975069547887e-05, -1.4355788462284827e-05, 4.383306171708144]], calculator=SinglePointDFTCalculator(...))"
52136,HMoNb2Ti,8.432910443174343,0.1460854480000009,38,0.7403116521122214,-0.1124011278152465,True,"Atoms(symbols='TiNb2MoH', pbc=True, cell=[[3.2659378456372563, -1.5625532909213644e-06, 4.083647676273482e-06], [2.609726609837153e-06, 4.588783529207729, 0.007869960500799519], [3.2137388063277647e-06, -0.014922088487550746, 4.588713174917537]], calculator=SinglePointDFTCalculator(...))"
32960,Ir2Nb2OsRu,8.414499706583822,0.09455605861110783,10,0.7948269898574315,-0.3573058843612671,True,"Atoms(symbols='Nb2Ir2OsRu', pbc=True, cell=[[2.778924215378772, -1.1277568348242124e-05, 1.0629432236274185e-05], [0.0001585143671056891, 4.802789710187821, -0.010479087202162389], [-0.00011143714151205267, -1.5362121365008634, 6.706384850307403]], calculator=SinglePointDFTCalculator(...))"
29149,Hf3Sc,8.412602498931456,0.12345465749999995,123,0.9117143558339781,-0.0085256099700927,True,"Atoms(symbols='Hf3Sc', pbc=True, cell=[[3.11709980426117, -4.0227612414767694e-05, -7.200569023288312e-05], [3.3397282617548605e-05, 3.117087163100894, 1.8717123704948795e-05], [0.00026842186072786775, -3.8166519365976536e-05, 9.080690094749258]], calculator=SinglePointDFTCalculator(...))"
52037,Mo2N,8.406663478554023,0.0546119075,166,0.6552844129805787,-0.3780500888824463,True,"Atoms(symbols='Mo2N', pbc=True, cell=[[2.874590055680013, -0.0005478681743853079, 6.349086406831648e-06], [1.4376520581322838, 2.48898772651779, -2.6738641064022047e-05], [1.4371757838797328, 0.8298584578676488, 4.9308475211348535]], calculator=SinglePointDFTCalculator(...))"
291,Nb2Ru2TcW,8.35394943443956,0.10666383111111166,2,0.781998844464975,-0.2164845466613769,True,"Atoms(symbols='Nb2TcRu2W', pbc=True, cell=[[3.0311755494740136, 0.009368028017366631, 0.0010112065270271606], [-0.014383463415237446, 4.5031708894763005, 0.018394453890474057], [0.006523592236873287, -2.857351856108044, 6.712498977346757]], calculator=SinglePointDFTCalculator(...))"
26277,MoReRu2,8.32953222308693,0.056581131250002414,6,0.7241218950926935,-0.0383479595184326,True,"Atoms(symbols='ReMoRu2', pbc=True, cell=[[2.74758020886171, -5.5619484391918954e-08, 0.0010933761670990016], [-9.733409768585818e-08, 4.359422421200352, -1.242817378737429e-05], [-0.0017989844129144227, -1.3340333331401761e-05, 4.713509855252412]], calculator=SinglePointDFTCalculator(...))"
12803,HfLiMo3N6Nb,8.325599216515485,0.14755746864583763,1,0.6552485612648071,-0.947468101978302,True,"Atoms(symbols='LiHfNbMo3N6', pbc=True, cell=[[5.217584665049335, -0.0013901910411481765, 0.0009437257401164811], [-2.740286796562741, 4.750814875232446, -0.008560652867319624], [-0.6913234509764293, -1.6912754695954142, 4.849326507789404]], calculator=SinglePointDFTCalculator(...))"
183207,IrMoOsRe,8.318525005546894,0.13725802874999893,44,0.7547895033808987,-0.0042552947998046,True,"Atoms(symbols='ReMoIrOs', pbc=True, cell=[[3.8588538632465266, 0.0018017298419290915, -0.00030503730215981873], [-0.0004921944233502286, 3.8588748444629, 0.0003487047020249189], [-1.928717373355336, -1.9305847716796793, 3.8825806021847282]], calculator=SinglePointDFTCalculator(...))"
108040,H2Nb8,8.317074348084965,0.037185350999999756,1,0.7506966486616038,-0.0229377746582031,True,"Atoms(symbols='Nb8H2', pbc=True, cell=[[6.621395034875064, 0.0013635772940949413, -0.014731880028847765], [3.297263120886545, 4.727229522252502, -0.006270929612232881], [1.6593831811724848, 2.390825457771725, 4.6743468664747]], calculator=SinglePointDFTCalculator(...))"
12120,La3Mg,8.310452902060506,0.08920739750000006,221,1.411952298867251,-0.008111834526062,True,"Atoms(symbols='La3Mg', pbc=True, cell=[[5.028775961576408, 5.608182144960438e-06, -6.318551883322093e-05], [-1.1236850800039453e-05, 5.02842215954666, -8.321108247412989e-05], [0.0001416386093323113, 0.00018806616288853632, 5.029764563730318]], calculator=SinglePointDFTCalculator(...))"
34145,IrZr4,8.280694323954467,0.052336846500001144,87,0.8797234405190522,-0.4324216842651367,True,"Atoms(symbols='Zr4Ir', pbc=True, cell=[[3.3462708475273057, 0.0009945430001775562, -0.000325624631242731], [1.671448229394635, 5.480819573678825, -7.565784470808597e-05], [1.674458988125543, 0.0002813314016511161, 5.481036594555139]], calculator=SinglePointDFTCalculator(...))"
57708,Mo5ReSiTc,8.263149035533083,-0.0017645332812499248,6,0.721995476359094,-0.1747664213180542,True,"Atoms(symbols='ReSiTcMo5', pbc=True, cell=[[4.9121336213676585, -3.084395840694144e-05, 4.7315186516424935e-06], [3.1982294484219446e-05, 4.896306062918429, -0.0005588438253468206], [-3.9198355356703495e-06, 0.000519442549211124, 4.919216813673487]], calculator=SinglePointDFTCalculator(...))"
134366,HfNb2Re,8.258283774333346,0.09948425970000052,47,0.7883688073068623,-0.1140463352203369,True,"Atoms(symbols='HfNb2Re', pbc=True, cell=[[3.2519001455295595, 2.0070906098935336e-05, 6.242383628740734e-08], [-2.6247580426320903e-05, 4.504364387663003, 0.0], [8.870755682947358e-08, 0.0, 4.716152187992231]], calculator=SinglePointDFTCalculator(...))"
106128,IrMoTc2,8.257534154735945,0.08671220124999834,44,0.7177745525644211,-0.007487416267395,True,"Atoms(symbols='Tc2MoIr', pbc=True, cell=[[3.8470664195061635, 0.00017895554328680233, -2.1950477949978692e-05], [0.00018030860198396553, 3.8464980845968895, -0.0007434516317432815], [-1.923642896422838, -1.9225799644374024, 3.8745110773453777]], calculator=SinglePointDFTCalculator(...))"
42572,IrMoNb2ReRu,8.252739824447598,0.15510342850694414,6,0.8744960196296578,-0.2781621217727661,True,"Atoms(symbols='Nb2ReMoIrRu', pbc=True, cell=[[2.9916857463269966, 5.324702891385949e-06, -7.458834095858196e-06], [6.769719183461041e-07, 4.613189570739951, 0.1693315566566314], [1.2182458781717113e-05, 3.2861093822835294, 6.837605830288837]], calculator=SinglePointDFTCalculator(...))"
12880,La4Mg2,8.242254123337654,0.13558385166666698,146,1.4055423124342863,-0.0064789056777954,True,"Atoms(symbols='La4Mg2', pbc=True, cell=[[6.103437016919374, -0.0048839541970260286, -0.0009628271541230974], [3.059953675557265, 5.282231957360573, -0.0005602276836019097], [3.056086367014371, 1.759383073078958, 5.7536130080309755]], calculator=SinglePointDFTCalculator(...))"
26726,MoNb2Os2Ru,8.228677921485444,0.0857979484259257,10,0.865876076950281,-0.2021843194961547,True,"Atoms(symbols='Nb2MoOs2Ru', pbc=True, cell=[[2.9927548460781788, 1.959974170957351e-05, -1.0918383798002442e-05], [-3.5443826138268336e-05, 4.618622247323314, 0.00014096900524983386], [4.4789016934837336e-05, -1.1895028621309172, 6.6215203861159]], calculator=SinglePointDFTCalculator(...))"
2112,Ir2Mo3Os,8.192893317018834,-0.02747137000000066,10,0.7207016778507578,-0.1198474168777465,True,"Atoms(symbols='Mo3Ir2Os', pbc=True, cell=[[2.7517146310507905, 3.3838244001638254e-05, -2.779957290053249e-05], [-5.8548975468778245e-05, 4.778019108009618, 0.008542753981697957], [8.620397613300434e-05, -1.5640635017824924, 6.647118051144882]], calculator=SinglePointDFTCalculator(...))"
59878,RhZr5,8.168913315076777,0.0504064875000001,123,0.8732961604525625,-0.2960247993469238,True,"Atoms(symbols='Zr5Rh', pbc=True, cell=[[3.2638077185674277, -6.323450333156582e-05, -5.409824767150291e-05], [5.993832442062221e-05, 3.2638051878675034, -4.0778253413765824e-05], [0.00021573639448653438, 0.0001473679027811665, 11.573495157030624]], calculator=SinglePointDFTCalculator(...))"
163509,Mo6NbRu,8.149996373459658,0.07768482739583327,200,0.7257790414699686,-0.00595223903656,True,"Atoms(symbols='NbMo6Ru', pbc=True, cell=[[4.992823297893393, 6.149052967830693e-07, -3.3265368514493907e-07], [-9.273981525252848e-07, 3.530757706715608, -3.530757948645561], [-4.032165880544717e-08, 3.5307099356303384, 3.5307103086056824]], calculator=SinglePointDFTCalculator(...))"
9130,AlSnZr6,8.137044699479336,0.07632196312500028,200,0.8299616619256308,-0.3179483413696289,True,"Atoms(symbols='Zr6AlSn', pbc=True, cell=[[5.528108853143141, -4.598770945230219e-05, 0.0001342073161560187], [7.397438755131764e-05, 5.528112989574163, -7.965008586979796e-06], [-0.00022092123957800816, -2.5753341186714015e-05, 5.528113521321047]], calculator=SinglePointDFTCalculator(...))"
68658,Nb2TcZr,8.132851331156871,0.09024815749999959,216,0.7308698371352165,-0.1327880620956421,True,"Atoms(symbols='ZrNb2Tc', pbc=True, cell=[[4.6028373516096925, 1.2757320123257504e-05, 2.775742934713155e-05], [2.301294650966411, 3.9860138968660452, 5.923108096701026e-05], [2.3012462747981806, 1.3285880422098508, 3.758273080962259]], calculator=SinglePointDFTCalculator(...))"
163541,MoReTaTc,8.130161977026761,0.19209662718749954,2,0.7336411210040886,-0.1410839557647705,True,"Atoms(symbols='TaReTcMo', pbc=True, cell=[[2.7389356090011048, -0.0007159804142806691, -0.0031959319521088626], [-0.9207742806350852, 5.087755035692057, -0.00413983969542738], [-0.9529692532254302, -2.5052548013641083, 4.404978939401364]], calculator=SinglePointDFTCalculator(...))"
14556,MoRhRuTc,8.10919580764835,0.19747274250000046,35,0.7175774853016544,-0.0725976228713989,True,"Atoms(symbols='TcMoRuRh', pbc=True, cell=[[2.69995859716218, 0.0009645025365923818, -0.00017891577235176653], [-0.0009553601387332019, 2.699957013933221, 0.0002782940458320744], [0.0005979318950380618, -0.0006191378980604577, 7.740003876131369]], calculator=SinglePointDFTCalculator(...))"
22010,OsRuW2,8.107494967576486,0.11498660666666538,12,0.7894851057325092,-0.0749304294586181,True,"Atoms(symbols='OsRuW2', pbc=True, cell=[[2.765977103535703, 9.298319416918252e-06, -3.073362788043893e-08], [-5.831007398770551e-06, 2.7659647262655658, -3.83271939183733], [-5.269420198409803e-06, 2.765964994486318, 3.8327190677372545]], calculator=SinglePointDFTCalculator(...))"
66104,Ir2Mo2RuTc,8.102919408433026,0.051824637222221526,10,0.7010217952571461,-0.0437026023864746,True,"Atoms(symbols='TcMo2Ir2Ru', pbc=True, cell=[[2.7240108075381366, 1.3506989024318686e-05, -5.759547614346946e-05], [-2.5779808951575412e-05, 4.781051720235345, 0.004570805857487114], [0.0001495823965006029, -1.585140355559934, 6.568288215859572]], calculator=SinglePointDFTCalculator(...))"
22642,HHfNb,8.092310866232175,0.18458594166666753,1,0.8293091712922382,-0.2653778791427612,True,"Atoms(symbols='HfNbH', pbc=True, cell=[[3.4161941877353983, -0.00018248632098044623, -0.001252150215713223], [-1.7078770586078007, 2.4918313919244355, 0.01145224993770176], [0.0011879807603982222, 0.03935507609068212, 4.878662849673197]], calculator=SinglePointDFTCalculator(...))"
20382,HHfNb,8.085978602590183,0.18496763166666863,8,0.8287937454643889,-0.2884033918380737,True,"Atoms(symbols='HfNbH', pbc=True, cell=[[3.415506071031064, -0.0014946061653431447, 0.0005101134992578422], [-1.706665932848432, 2.493125913928999, -0.02468891564591902], [-0.0007886332041569943, 0.11195489344167248, 4.876890539862075]], calculator=SinglePointDFTCalculator(...))"
59296,IrMo2Re,8.084861993321823,0.06258701843749748,99,0.7482241474600176,-0.0418453216552734,True,"Atoms(symbols='ReMo2Ir', pbc=True, cell=[[3.8825471824670603, 7.201528667560903e-05, -0.00011963274305177947], [-7.333831998881459e-05, 3.904420723919399, 0.00010271905386136168], [0.00012175820781234345, -0.00010382288638894737, 3.9041329172021797]], calculator=SinglePointDFTCalculator(...))"
28843,IrMo2Re,8.077717183696107,0.062031365937496474,38,0.7480074818556862,-0.0403734445571899,True,"Atoms(symbols='ReMo2Ir', pbc=True, cell=[[3.8823096045184937, -7.091044343549419e-05, 7.27070814094891e-05], [7.150149427225503e-05, 3.9044447206095327, -0.0012395432035181672], [-7.378741274025727e-05, 0.0012469763527831268, 3.9043894710561493]], calculator=SinglePointDFTCalculator(...))"
37165,HLa3,8.063568896958525,0.15433499062500022,166,1.1339426610665244,-0.2965923547744751,True,"Atoms(symbols='La3H', pbc=True, cell=[[3.7059103790071335, 0.0005830737439715163, -0.0005246154603153827], [1.852997398366003, 3.209387245066379, -0.0004903331448153451], [1.848062844706768, 1.0670557887841294, 8.878908582548252]], calculator=SinglePointDFTCalculator(...))"
124809,CrMoTiV,8.020735765855004,0.15995764984374894,99,0.6662380680414112,-0.0233426094055175,True,"Atoms(symbols='TiVCrMo', pbc=True, cell=[[2.9776013722768653, -1.1896511438932894e-05, 9.694796069808221e-07], [1.279048640362549e-05, 2.9776080287661295, 2.9631041819591425e-05], [2.4221889246062913e-06, -0.00027059051684685294, 6.2218830481270615]], calculator=SinglePointDFTCalculator(...))"
3047,Os2ReW,8.002351685299985,0.1040696249999975,47,0.7640776557672896,-0.0212081670761108,True,"Atoms(symbols='ReOs2W', pbc=True, cell=[[3.8762304663646354, 2.1688685069672007e-06, -7.221703470662528e-06], [-1.0058520612021802e-06, 3.8762122431542454, -8.900219097793666e-05], [6.121552778722643e-06, 8.833817145315866e-05, 3.869421841975029]], calculator=SinglePointDFTCalculator(...))"
71974,Mo3NbOs2,7.99441605079409,0.09889847666666896,10,0.7461798851612839,-0.0415502786636352,True,"Atoms(symbols='NbMo3Os2', pbc=True, cell=[[2.9944277400743182, 3.452209313379753e-06, 6.4781826257205e-06], [2.350343906438492e-05, 4.584710185013764, -0.00646336412304608], [-1.1544647432396916e-05, -2.8036489225397383, 6.686067049714366]], calculator=SinglePointDFTCalculator(...))"
2011,Ir3Nb3,7.989863325902649,0.004929713333332586,123,0.9001041773262288,-0.482779860496521,True,"Atoms(symbols='Nb3Ir3', pbc=True, cell=[[2.841195370768313, -1.784245895783147e-05, -3.3947277604387506e-07], [3.034253702487077e-05, 4.790847969880639, 0.01007052319287607], [1.8498389406458618e-06, 0.2634668755856353, 6.869991720054702]], calculator=SinglePointDFTCalculator(...))"
2933,HAuHfNb2,7.98038643056474,0.1651730059999954,123,0.8343516031799897,-0.352591872215271,True,"Atoms(symbols='HfNb2HAu', pbc=True, cell=[[4.045893321261867, 3.7389266100541284e-05, 1.6484409928073698e-06], [-3.479768722627696e-05, 4.0462713555283525, 3.091852011384967e-05], [-1.7386541814684695e-06, -3.097592850663401e-05, 4.529191112382344]], calculator=SinglePointDFTCalculator(...))"
159200,Mo3NTc,7.974743329397925,0.11327441449999931,8,0.6888893522990981,-0.2541402578353882,True,"Atoms(symbols='TcMo3N', pbc=True, cell=[[2.809128104870928, -0.06348314850274026, -0.11115707245274607], [-1.2078672193518167, 2.5368297589744415, 0.1110660344491326], [-0.4542008504650397, -1.4605507441024006, 9.186650763661634]], calculator=SinglePointDFTCalculator(...))"
160952,HfIr2Nb2Rh,7.964954302553283,0.10068506683333567,10,1.2084334254918445,-0.6356493234634399,True,"Atoms(symbols='HfNb2Ir2Rh', pbc=True, cell=[[2.9076713799389893, -9.755865444486452e-05, -1.1605479516500603e-05], [0.0001291275662917078, 4.816301119148014, 0.02153150059872135], [-2.6175065223427712e-05, -2.1931575045272043, 6.870939847855574]], calculator=SinglePointDFTCalculator(...))"
147,GaSnZr6,7.96432619196808,0.09643319750000057,200,0.8235879177037715,-0.3530230522155761,True,"Atoms(symbols='Zr6GaSn', pbc=True, cell=[[5.5058945869046125, -4.776369640326607e-05, 0.00010486688136224322], [9.835771001976913e-05, 5.5059070414168465, -6.151892641000374e-05], [-0.00023516195780593537, 0.00010658628511308544, 5.5057200897538205]], calculator=SinglePointDFTCalculator(...))"
60016,Mo2NbOs2Ta,7.9315050476362785,0.17091769583333516,10,0.7424289922221601,-0.2363415956497192,True,"Atoms(symbols='TaNbMo2Os2', pbc=True, cell=[[3.0429767911440244, 2.741722985210153e-07, 2.2272648520302702e-06], [1.4355538327055408e-06, 4.641779889579338, 0.008814269726935782], [-4.103342714943734e-06, -2.9157966564614006, 6.622433037327531]], calculator=SinglePointDFTCalculator(...))"
57923,IrMo2Os2Re,7.889912515601339,0.0406736675000019,2,0.7152553384326188,-0.050445556640625,True,"Atoms(symbols='ReMo2IrOs2', pbc=True, cell=[[2.753944608468686, -0.0010758205711185952, 0.0020987910062536946], [0.0018845544386084736, 4.760035191655411, 0.0022577584765146592], [-0.005668733167310614, -1.6013540265789197, 6.623341592877473]], calculator=SinglePointDFTCalculator(...))"
23362,BeTi2Zr,7.864813331045196,0.1331591800000007,123,0.7470462942466696,-0.1462726593017578,True,"Atoms(symbols='ZrTi2Be', pbc=True, cell=[[2.9898394588837798, -9.945175128387506e-05, -0.00013517616941705505], [0.00010014381555529865, 2.9898353548519867, 0.0001296033898689979], [0.0002550302171916753, -0.00027544762425603224, 7.1383029385847685]], calculator=SinglePointDFTCalculator(...))"
10400,HNb3Zn,7.863743532412774,0.17055522449999927,6,0.7456155368311157,-0.0125471353530883,True,"Atoms(symbols='Nb3ZnH', pbc=True, cell=[[4.215438349267016, 7.665977793885668e-06, 0.2432811362532044], [-4.830036315534098e-06, 3.847865107799232, -3.6025392577401354e-05], [-0.24935038023064704, 4.0719040330958355e-05, 4.214409269348575]], calculator=SinglePointDFTCalculator(...))"
5935,ReRuTc2,7.820832708917179,0.03855943083333102,156,0.6821933666650624,-0.0607812404632568,True,"Atoms(symbols='ReTc2Ru', pbc=True, cell=[[2.726634023434549, 5.456030881707034e-07, -2.1190342161781357e-06], [-1.3633165377590364, 2.3613286391455377, -6.751149323324359e-07], [-6.7649271790862456e-06, -6.395680644667689e-06, 8.689830674597475]], calculator=SinglePointDFTCalculator(...))"
2961,Os2RuTa,7.791702927877357,0.022664663333337387,123,0.7631679432896082,-0.0235652923583984,True,"Atoms(symbols='TaOs2Ru', pbc=True, cell=[[3.8692395471371195, -1.3561691703990028e-05, 3.585809860123351e-05], [1.584609549837427e-05, 3.869163254309028, 5.3339263938738966e-05], [-3.935120234846832e-05, -5.8854690908057094e-05, 3.901933511784111]], calculator=SinglePointDFTCalculator(...))"
7998,Re2RhTc,7.782389649194778,0.15519263124999938,123,0.7343372237644892,-0.1513992547988891,True,"Atoms(symbols='Re2TcRh', pbc=True, cell=[[3.8324304753338554, 4.75897544900264e-06, -1.9202543444469123e-05], [-4.704720028574271e-06, 3.8387681595049337, -3.769201564902254e-05], [1.914828802404075e-05, 3.842833921197897e-05, 3.8387415433458263]], calculator=SinglePointDFTCalculator(...))"
12068,Mo3Os2Ta,7.7686675211069955,0.13575554416666868,10,0.7471293763193934,-0.1065101623535156,True,"Atoms(symbols='TaMo3Os2', pbc=True, cell=[[2.996066327763813, -8.456592696718685e-07, -5.274004047415955e-07], [1.8186220853158463e-06, 4.591259693297065, 0.009096211177234694], [-2.2429672385562106e-07, -2.8326306861491455, 6.664748863801483]], calculator=SinglePointDFTCalculator(...))"
3905,HfTcTi2,7.768584378479431,0.0715897649999988,123,0.7277231607007136,-0.2901886701583862,True,"Atoms(symbols='HfTi2Tc', pbc=True, cell=[[3.1155254840784496, -9.756494362790424e-05, 2.9151518058996888e-05], [9.615880047776163e-05, 3.1155147948739215, 6.760182616681162e-06], [-9.568379462614745e-05, -8.417984496155787e-06, 6.9175148255576655]], calculator=SinglePointDFTCalculator(...))"
16943,HNb3Ta,7.767083046117243,0.057452967999997995,6,0.7336016191088274,-0.058734655380249,True,"Atoms(symbols='TaNb3H', pbc=True, cell=[[4.713567252906943, -0.00013796690604855858, 0.0027536578644595405], [9.62765098609943e-05, 3.3027179499101917, 2.0504574603642095e-05], [0.07149148776975023, -3.185549259901346e-06, 4.71673897093414]], calculator=SinglePointDFTCalculator(...))"
14503,OsRuW2,7.764432824804214,0.1156977191666666,47,0.7752893133918561,-0.0664680004119873,True,"Atoms(symbols='OsRuW2', pbc=True, cell=[[3.912865982480727, 0.0001157472071829196, -0.00011839769519729318], [-0.00010621336223569529, 3.8270630750592276, 2.127906720793344e-05], [0.00011396702866580304, -2.06065553236894e-05, 3.9133366616806526]], calculator=SinglePointDFTCalculator(...))"
178814,HfMoNb,7.759742220086044,0.11530847916666609,42,0.7894319671639051,-0.0277812480926513,True,"Atoms(symbols='HfNbMo', pbc=True, cell=[[2.937241496616999, -0.0008442932861384743, -0.000317876306503792], [-1.1361261806788743, 2.7086055625606655, -0.00033574282793185045], [-0.8980028715179806, -1.3496380346132129, 6.749116024455748]], calculator=SinglePointDFTCalculator(...))"
3434,HIr2Nb2,7.753468558055225,0.072128919499999,10,0.6925164191647983,-0.4316294193267822,True,"Atoms(symbols='Nb2HIr2', pbc=True, cell=[[2.8520210388346006, -2.809573142643768e-06, 5.572850538343869e-06], [-6.663694075704013e-06, 4.60999253379185, 0.005962851697565685], [6.880705389502451e-06, 0.06204882390406152, 4.893364822293281]], calculator=SinglePointDFTCalculator(...))"
52563,MoOsReRu,7.742716431091703,0.08929052333333587,6,0.7064472972248966,-0.0298891067504882,True,"Atoms(symbols='ReMoOsRu', pbc=True, cell=[[2.7289164289316346, -2.8986240761437642e-05, -0.00016665161893150132], [4.58572677143063e-05, 4.399722083729931, -0.003053909081483855], [0.0002839121367706404, 0.003283266977429085, 4.7621681408968515]], calculator=SinglePointDFTCalculator(...))"
3361,NZr3,7.722688557766592,0.1658808187500007,8,0.7450991465129895,-1.1316804885864258,True,"Atoms(symbols='Zr3N', pbc=True, cell=[[3.1914128761046605, 0.025988723330957125, -0.25670740273298753], [1.5471273172637843, 2.7911938737699553, -0.2571872777052269], [2.37862230373739, 1.4128926610509536, 7.67839415207873]], calculator=SinglePointDFTCalculator(...))"
1196,CrMoTcW,7.678134598388723,0.05240096250000015,99,0.6638201039086072,-0.0203838348388671,True,"Atoms(symbols='CrTcMoW', pbc=True, cell=[[3.0327949762229975, 1.815256621849748e-05, -4.83741855713038e-07], [-1.8238292623307384e-05, 3.0327994799209073, -0.0001245267879583316], [6.397945290402123e-05, 0.00025907131865016353, 6.122786245397943]], calculator=SinglePointDFTCalculator(...))"
63441,La4Mg2,7.676675407318114,0.11085647166666668,2,1.2650733877689484,-0.0402808189392089,True,"Atoms(symbols='La4Mg2', pbc=True, cell=[[6.291592836745163, -0.1467344528202744, -0.053826537383031975], [3.5327458096599114, 5.156319292323774, 0.04952058253360313], [3.332938498803445, 1.6151609580387094, 5.585640535840718]], calculator=SinglePointDFTCalculator(...))"
161198,HNb3Ta,7.675751288126027,0.05875873199999937,38,0.7278344905041951,-0.0555047988891601,True,"Atoms(symbols='TaNb3H', pbc=True, cell=[[3.298891608316965, 3.8220735125282225e-05, -2.109845956252488e-05], [-2.254949986445347e-05, 4.718120129925829, -0.003773555394846496], [-4.419835402426161e-06, 0.07299268436108823, 4.717649779381616]], calculator=SinglePointDFTCalculator(...))"
97594,MoOsRu2,7.6646780623903865,0.07358527666666781,119,0.6900511154307517,-0.0321202278137207,True,"Atoms(symbols='MoOsRu2', pbc=True, cell=[[3.8149733045577503, -0.0012736170483595218, -0.0008358578576144292], [0.00010386253651624498, 3.8149723153540784, -0.00088554898370488], [-1.9073167209445787, -1.9065755956969825, 3.8472170410358326]], calculator=SinglePointDFTCalculator(...))"
195509,MoNb3Rh2,7.6639018558645295,0.1363807983333345,38,0.7779028551459631,-0.3257917165756225,True,"Atoms(symbols='Nb3MoRh2', pbc=True, cell=[[3.585914623445972, -5.232569048289682e-07, -3.630762196772432e-07], [7.047950146675898e-07, 4.227891941893829, -0.0009539080162155523], [3.363794388186224e-06, 2.116807986880365, 6.245813781707094]], calculator=SinglePointDFTCalculator(...))"
173900,HNb2PtV,7.656150308932881,0.1656354745833335,99,1.5020053899589023,-0.0386935472488403,True,"Atoms(symbols='Nb2VHPt', pbc=True, cell=[[4.153381013185045, -6.356303870324666e-05, -0.00012766170914395682], [6.436015995033801e-05, 4.153344252821078, 8.452859277356975e-05], [0.000113292438832633, -7.402683666109651e-05, 3.7712581094530178]], calculator=SinglePointDFTCalculator(...))"
59850,NbTcTi2,7.648652660501319,0.12000552750000182,6,0.6826801923571717,-0.1567531824111938,True,"Atoms(symbols='Ti2NbTc', pbc=True, cell=[[2.862055686557932, -1.741528257062312e-06, -0.0025053161098563207], [-2.673245874590649e-06, 4.416654604839466, -3.8400698068223985e-06], [-1.6545211018854329, -3.332124065179224e-06, 5.005023671498978]], calculator=SinglePointDFTCalculator(...))"
14208,HfMoNbTa,7.623226131104908,0.0429106443749987,99,0.7921658591855657,-0.0165203809738159,True,"Atoms(symbols='HfTaNbMo', pbc=True, cell=[[3.2217896715799186, 6.21694357505152e-06, 8.144847072173517e-05], [-5.4162272821391256e-06, 3.22178093530947, 0.0003902124851350269], [-0.00047935238919071324, -0.002181369263160132, 6.879638239271604]], calculator=SinglePointDFTCalculator(...))"
54175,Mo5NbPtRe,7.610090651291794,0.0106961429687491,6,0.7116907157366165,-0.1072204113006591,True,"Atoms(symbols='NbReMo5Pt', pbc=True, cell=[[4.982082755163484, -0.0032220880683777563, 3.2156116255880956e-07], [0.003496746520741465, 4.993641361590737, -4.677710036597682e-06], [3.2156116255880956e-07, -4.6425392844428125e-06, 4.998115362630854]], calculator=SinglePointDFTCalculator(...))"
119582,HTi3Zr,7.601418463929092,0.19021970499999963,25,0.727334606133412,-0.1867902278900146,True,"Atoms(symbols='ZrTi3H', pbc=True, cell=[[4.931094880905896, 3.936289424937694e-06, -3.1867563818537196e-06], [9.009287901969629e-06, 3.5001345835717084, -2.368722967944852e-05], [5.827495315103219e-06, 3.0135199367965627e-05, 4.351680379297494]], calculator=SinglePointDFTCalculator(...))"
12969,IrMo2Os2Ru,7.586355217385424,0.08249314055555601,6,0.7115187081743913,-0.0727536678314209,True,"Atoms(symbols='Mo2IrOs2Ru', pbc=True, cell=[[2.723009301220782, 1.0105981395147539e-05, -2.1138184093032288e-05], [-1.1708316764571257e-06, 4.711149481283583, 0.009839894780301247], [5.810458326755891e-05, -0.015524719570055892, 6.6890778241249]], calculator=SinglePointDFTCalculator(...))"
1072,MoReRu,7.578457788688512,0.11910768999999988,42,0.8471343679574808,-0.0213707685470581,True,"Atoms(symbols='ReMoRu', pbc=True, cell=[[2.7102573786352693, 0.011159059321234698, -0.00047517541895982076], [-0.010733486194010813, 2.7102596765050144, 0.0008654170911634686], [-1.3481954179219862, -1.3627020253633593, 5.9440507412336405]], calculator=SinglePointDFTCalculator(...))"
30549,GaNb7,7.5616180554526355,0.047684384062501195,200,0.7213960801473698,-0.115328311920166,True,"Atoms(symbols='Nb7Ga', pbc=True, cell=[[5.1762123757423675, 1.4613585636819532e-06, 2.0784934391361305e-05], [1.4613585636819532e-06, 5.175722936270615, 1.1564708057914739e-06], [-5.499018681538458e-05, 1.1564708057914739e-06, 5.1759791734043805]], calculator=SinglePointDFTCalculator(...))"
144482,Mo6OsP,7.550929896152141,0.02772363875000039,148,0.7059262580219462,-0.137399673461914,True,"Atoms(symbols='Mo6POs', pbc=True, cell=[[4.896452294885742, 0.003484346978930097, -0.0035363492099316383], [-0.0032810830363132664, 4.896462485980005, 0.0034833051567936244], [0.003335716979157176, -0.003276861434765002, 4.896460614650197]], calculator=SinglePointDFTCalculator(...))"
1452,IrNb6Pt,7.536511787169039,-0.009779193125000418,200,0.7244790471140158,-0.3797974586486816,True,"Atoms(symbols='Nb6IrPt', pbc=True, cell=[[5.12349033897896, 1.713005943147115e-07, -1.5053688591292833e-07], [-2.595463550222902e-07, 3.6242469243650888, -3.6242588583064923], [-2.9069191762496503e-07, 3.624232285950665, 3.624243150561087]], calculator=SinglePointDFTCalculator(...))"
82458,Mo2NbTi2,7.529041308106499,-0.0010612620000003403,12,0.6761424966408024,-0.0199277400970459,True,"Atoms(symbols='Ti2NbMo2', pbc=True, cell=[[3.1630526964144363, 0.000791476900478113, -0.0003391660154674598], [1.5783914423315357, 5.066565440148923, -0.011693801252448502], [1.581535421220284, -0.16508881421654067, 5.005757806014249]], calculator=SinglePointDFTCalculator(...))"
45306,OsRuW2,7.523772524412753,0.11356029166666559,71,0.7609743671145088,-0.0707340240478515,True,"Atoms(symbols='OsRuW2', pbc=True, cell=[[3.9131774506964927, -0.0012925779022612853, 9.902322651941009e-07], [0.0015198362071233316, 3.9136365501011405, 1.9804645303882017e-08], [-1.9573492415520963, -1.9561700729707032, 3.8274558557582727]], calculator=SinglePointDFTCalculator(...))"
59794,MoNb3Rh2,7.507668260690362,0.07804992333333516,10,0.7848965420689761,-0.2942191362380981,True,"Atoms(symbols='Nb3MoRh2', pbc=True, cell=[[3.1074939483047093, -9.423121885558232e-05, -4.831398574077308e-06], [-6.413444773824191e-05, 4.60211404250535, -0.0026882596377072222], [1.7134097165322533e-05, -2.962762365333634, 6.642197624193068]], calculator=SinglePointDFTCalculator(...))"
43191,HfMo2Ti,7.504631466398744,0.11104192874999974,6,0.7340286489390327,-0.0410293340682983,True,"Atoms(symbols='HfTiMo2', pbc=True, cell=[[2.8981452480833716, 2.1192390288401886e-06, 0.0005885702088975149], [3.252239396059458e-06, 4.455098977959813, -2.3980862694770553e-06], [-1.1625800686380188, -3.6308845965032035e-06, 5.1935129293665225]], calculator=SinglePointDFTCalculator(...))"
108654,Hf2MoTi2,7.504252204404605,0.039664233499999924,12,0.7582049205580181,-0.0109018087387084,True,"Atoms(symbols='Hf2Ti2Mo', pbc=True, cell=[[3.2590395203720406, 3.4974076482471494e-06, 0.0002369625659334547], [1.6295956341353401, 5.217985178187549, 0.012211479256355016], [1.6298927818077942, -0.22992808805456458, 5.359562876042095]], calculator=SinglePointDFTCalculator(...))"
38296,HfTiV,7.501215754433387,0.1770858499999992,107,0.7091850899547879,-0.0321731567382812,True,"Atoms(symbols='HfTiV', pbc=True, cell=[[3.2874133825985314, 0.0009059972054749187, -0.0007282810241778758], [-0.00042341587002712756, 3.2874165295206246, -0.0005627895529365123], [-1.6423702351124132, -1.6431290496060817, 4.774837848710899]], calculator=SinglePointDFTCalculator(...))"
136888,Nb2ReRu2W,7.500233267233623,0.1052584627777815,6,0.7373693635294774,-0.2115770578384399,True,"Atoms(symbols='Nb2ReRu2W', pbc=True, cell=[[3.0374531708845622, 0.00010123945366258524, -1.8345013364323928e-05], [-0.00019082432002819652, 4.51259539577909, 0.012498871847351151], [0.00010377825878805076, -2.845272199863868, 6.729837674775968]], calculator=SinglePointDFTCalculator(...))"
18349,NbTc2Ti3,7.4775222873591,0.055595663333333434,123,0.719194116094729,-0.3435090780258178,True,"Atoms(symbols='Ti3NbTc2', pbc=True, cell=[[3.073369850120738, 2.3250620415601685e-06, 2.0484169590750682e-06], [-2.959169871076578e-06, 3.0733715597251803, -9.3310210462025e-05], [-3.230841558820374e-05, 0.00021137860162060985, 9.740868100004963]], calculator=SinglePointDFTCalculator(...))"
37290,Mo2NbRhTc2,7.456929189698886,0.1434463671666677,65,0.7727073209756572,-0.2132003307342529,True,"Atoms(symbols='NbTc2Mo2Rh', pbc=True, cell=[[3.034066071727863, 1.132239053865805e-06, 8.379848364769516e-07], [2.4467877858964426e-06, 4.462177498098589, -0.14045391560002002], [3.3327488534694027e-06, -2.4378365502145662, 6.75276992239267]], calculator=SinglePointDFTCalculator(...))"
57306,RuZr5,7.426028402796013,0.05239945666666834,123,0.7793144285283956,-0.2438397407531738,True,"Atoms(symbols='Zr5Ru', pbc=True, cell=[[3.235552660259744, 6.153824285020557e-05, 9.87319738347083e-06], [-5.833983707311565e-05, 3.235554942966526, 2.8981873207127688e-05], [-7.897903836065603e-05, -0.00015048858920099163, 11.72674100195864]], calculator=SinglePointDFTCalculator(...))"
113314,MoNbReTc,7.415914023232759,0.10419758859374717,44,0.680958613837515,-0.133131742477417,True,"Atoms(symbols='NbReTcMo', pbc=True, cell=[[3.127925773124578, -0.00048807857076416225, -0.0008730567957135897], [0.0006969773982227032, 4.43343478718155, -0.00040155519279751303], [-1.5650743891395753, -2.2160426418892127, 4.427115617374145]], calculator=SinglePointDFTCalculator(...))"
196348,H2Mo2Nb6,7.41220871254401,0.10834809199999995,146,0.7040531453966776,-0.0107285976409912,True,"Atoms(symbols='Nb6Mo2H2', pbc=True, cell=[[5.223913770260788, -0.13957978386538392, 0.14712134797050966], [0.09287031908243482, 5.225220650846818, -0.13997888927194443], [-0.09374562192434187, 0.09027157405082488, 5.226276904268067]], calculator=SinglePointDFTCalculator(...))"
31653,HfNb2Tc,7.406223001858543,0.19691789750000055,225,0.7160072885644683,-0.0496191978454589,True,"Atoms(symbols='HfNb2Tc', pbc=True, cell=[[4.587597691685593, -2.315175350316119e-05, 3.0404110022223737e-06], [2.293934820554109, 3.9729524991028713, -4.639648593605396e-06], [2.293879786325601, 1.3243413642929216, 3.745643064909355]], calculator=SinglePointDFTCalculator(...))"
81513,IrMoReW,7.352594477411858,0.09192172640625174,47,0.7422878298145938,-0.0601782798767089,True,"Atoms(symbols='ReMoIrW', pbc=True, cell=[[3.903828307257495, 0.00010848434747491569, -9.725464527434199e-05], [-0.00010274175212488483, 3.878014912724546, 0.00010151147673504249], [9.503386062494607e-05, -9.834341934139096e-05, 3.9291280087521896]], calculator=SinglePointDFTCalculator(...))"
59595,OsRe4W,7.3193208069509135,0.10736238333333148,1,0.7418673745458733,-0.0252242088317871,True,"Atoms(symbols='Re4OsW', pbc=True, cell=[[4.780194814985042, 0.0006386798340717927, -0.0003180040290780169], [2.3895437012247807, 4.140092892011835, -0.00017623111103548574], [2.390197832990322, 1.380221444586531, 4.447181438458421]], calculator=SinglePointDFTCalculator(...))"
131274,MoOsRu2,7.317507422169798,0.07231634166666723,71,0.6792256452480111,-0.0353754758834838,True,"Atoms(symbols='MoOsRu2', pbc=True, cell=[[3.8169957675486623, 0.0011765612120381407, -0.0004647707663916679], [-0.002612970694351473, 3.81681942062354, -0.001666496345449391], [-1.9073197305387675, -1.9079138074964614, 3.8422311461327046]], calculator=SinglePointDFTCalculator(...))"
132924,IrMoTcW,7.311280202072161,0.08476722250000002,47,0.7259463013681129,-0.1104354858398437,True,"Atoms(symbols='TcMoIrW', pbc=True, cell=[[3.846801564728092, 5.460307948132551e-06, -0.00018309921524079807], [-5.658652467615998e-06, 3.9262042506248833, 0.00015528431321441344], [0.00016817670698083753, -0.00014506762590690332, 3.900148528367529]], calculator=SinglePointDFTCalculator(...))"
7112,HHgNb2Zr,7.3102701076343495,0.1915132979999994,99,0.7927803225846819,-0.3305174112319946,True,"Atoms(symbols='ZrNb2HgH', pbc=True, cell=[[4.132335884709482, -7.52337088122787e-08, 2.9257553426997276e-08], [-7.52337088122787e-08, 4.1322451946531595, -5.851510685399456e-07], [3.3437203916568316e-08, -6.436661753939401e-07, 4.51747279677866]], calculator=SinglePointDFTCalculator(...))"
32205,HfRhZr4,7.29008376681795,0.05016570770833262,99,0.8102783093643209,-0.303408145904541,True,"Atoms(symbols='HfZr4Rh', pbc=True, cell=[[3.2461188911188708, -3.0355319728966793e-05, -2.902166971165692e-05], [2.9665500754496172e-05, 3.246119958695855, 6.757598068004598e-05], [0.00014182678115116007, -0.00026050849328270104, 11.63564509846156]], calculator=SinglePointDFTCalculator(...))"
123760,MoNb2OsRu2,7.2707284402483765,0.08997203518518404,6,0.7976588718772931,-0.1928279399871826,True,"Atoms(symbols='Nb2MoOsRu2', pbc=True, cell=[[2.991697332215683, 0.0003447791308618015, 9.899029084843157e-05], [-0.0005284469145855358, 4.586638874319172, 0.008514182596570484], [-0.0003326953255480512, 1.1459577221756074, 6.64732978937794]], calculator=SinglePointDFTCalculator(...))"
154830,MoNb2OsRu2,7.269154023994757,0.09014896351851753,2,0.7975978478893927,-0.211144208908081,True,"Atoms(symbols='Nb2MoOsRu2', pbc=True, cell=[[2.9916361086245065, 0.0017282609775530575, 0.001498648854511231], [-0.0024803498803293287, 4.586667371547523, -0.003731205335293368], [-0.002950198563583923, -1.1529773046407517, 6.646214156418861]], calculator=SinglePointDFTCalculator(...))"
13284,MoNb2OsRu2,7.268517142035278,0.09015748518518407,10,0.7974952443849307,-0.2203282117843628,True,"Atoms(symbols='Nb2MoOsRu2', pbc=True, cell=[[2.991649372669349, 1.4166448999182968e-05, 1.878047326127509e-05], [-1.9423162580305003e-05, 4.586544634206028, 0.0015679194141616586], [-4.1883941659043843e-05, -1.160313818829029, 6.6449695144619865]], calculator=SinglePointDFTCalculator(...))"
102684,Mo2TcW,7.2553110667840635,-0.00766658499999906,71,0.6592455879146194,-0.0409631729125976,True,"Atoms(symbols='TcMo2W', pbc=True, cell=[[3.1152443912559877, -0.00012585610886472215, -0.0009310595393705961], [0.00017038438661728052, 4.395109648901764, -2.2468685735213186e-06], [-1.5580888378179043, -2.1974898698091088, 4.416785334786763]], calculator=SinglePointDFTCalculator(...))"
5130,Ir2Mo3Os,7.238980497410937,0.03773151333333402,2,0.693895182604381,-0.0691454410552978,True,"Atoms(symbols='Mo3Ir2Os', pbc=True, cell=[[2.7259242799348464, 0.00867981320187555, -0.010758411654227484], [-0.015480589692906383, 4.821241184053206, -0.003982836974399507], [0.03136671118021365, -1.5819224349811165, 6.654403758762993]], calculator=SinglePointDFTCalculator(...))"
145998,OsRuTcW,7.225933631084502,0.05609971416667037,25,0.6917145057664342,-0.0542255640029907,True,"Atoms(symbols='TcOsRuW', pbc=True, cell=[[2.7489903737168895, 2.363337255216251e-07, 4.611010004765448e-05], [3.725731672929149e-07, 4.374832443008854, 1.5331107794426362e-05], [-0.00015097276425998497, 1.6551701976826285e-05, 4.729312670445739]], calculator=SinglePointDFTCalculator(...))"
21007,ReRuTc2,7.223575025573339,0.031020235833331355,44,0.6633503408794436,-0.0586163997650146,True,"Atoms(symbols='ReTc2Ru', pbc=True, cell=[[2.7177207141664783, -2.7923754828453867e-06, -0.00016340618536670517], [-4.488138940439484e-06, 4.733964597472544, 0.001093797662559917], [-1.3591583029975784, -2.3679877614143767, 4.344359155793632]], calculator=SinglePointDFTCalculator(...))"
15418,HgNbZr2,7.217252281638566,0.1421943793749998,47,0.8058719769767596,-0.022987961769104,True,"Atoms(symbols='Zr2NbHg', pbc=True, cell=[[4.5426477203173175, 1.8142163707250416e-08, -0.00010013567258216867], [1.8142163707250416e-08, 4.545351705500441, 2.3131258726744278e-07], [8.595757164495247e-05, 1.9502825985294196e-07, 3.8487414759888896]], calculator=SinglePointDFTCalculator(...))"
14789,OsZr5,7.199220838495052,0.03863713541666591,123,0.7751644874803694,-0.2407929897308349,True,"Atoms(symbols='Zr5Os', pbc=True, cell=[[3.2414412440414884, -9.544861502381388e-05, 1.2637578804258355e-05], [9.307640681684395e-05, 3.2414438226711275, -1.4397075775450145e-05], [-5.4062756098071785e-05, 7.10024196754676e-05, 11.730989202196522]], calculator=SinglePointDFTCalculator(...))"
43665,CrIrMoRu,7.186090429347418,0.11072423375000007,47,0.6668454428803423,-0.0684520006179809,True,"Atoms(symbols='CrMoIrRu', pbc=True, cell=[[3.815556553632718, 1.6482756224161674e-06, 4.956353270202462e-07], [-1.632907085144222e-06, 3.7808118294665563, -5.761664623252412e-05], [-4.879510583842734e-07, 5.4692782016536465e-05, 3.7590964244091167]], calculator=SinglePointDFTCalculator(...))"
127421,MoNb3Rh2,7.159844940902222,0.10860497166666683,2,0.7228217187845457,-0.3037533760070801,True,"Atoms(symbols='Nb3MoRh2', pbc=True, cell=[[2.7674009276338536, -0.0032968393459095243, 0.0012178100487122887], [0.8616675327739293, 5.018507618137571, -0.021085212692758867], [-1.3628708220976362, 0.8300371517398543, 6.837312724904317]], calculator=SinglePointDFTCalculator(...))"
9787,HLa3Sc,7.150007564397094,0.16632749550000092,221,0.9186334827408817,-0.2302486896514892,True,"Atoms(symbols='La3ScH', pbc=True, cell=[[5.073105090342757, -3.3114259715762133e-07, -1.6184594436078742e-05], [-3.3114259715762133e-07, 5.073142338710834, 6.726334004764183e-08], [4.661866875609638e-05, 6.726334004764183e-08, 5.073117803114026]], calculator=SinglePointDFTCalculator(...))"
27856,Mo4OsRu,7.1116643431583055,0.12659702138889095,38,0.7076750357123185,-0.0175015926361084,True,"Atoms(symbols='Mo4OsRu', pbc=True, cell=[[2.980396779742186, -1.2446414084391277e-06, -2.1481588753060504e-06], [3.294458246535173e-06, 4.536269982707941, -0.16233562249522182], [7.529312223891019e-06, 2.006129079532949, 6.536778946961451]], calculator=SinglePointDFTCalculator(...))"
4436,HfIrNbTi,7.106726284713807,0.11340435174999719,216,0.780560929703526,-0.5027506351470947,True,"Atoms(symbols='HfTiNbIr', pbc=True, cell=[[3.880586735839614, 0.6070555298589176, -2.2678382775998833], [2.0132940506125485, 4.064200456185605, -1.8949923352817159e-06], [3.880585586158072, 0.6070596924989846, 2.2678434313447284]], calculator=SinglePointDFTCalculator(...))"
80502,Mo4OsRu,7.102232765888812,0.06839831638889038,6,0.707132570503854,-0.0305322408676147,True,"Atoms(symbols='Mo4OsRu', pbc=True, cell=[[2.979514915939748, 2.9249760244251298e-05, -2.1056583742935194e-05], [-6.908637795446274e-05, 4.540261159093532, 0.004219260645891285], [9.062950663625908e-05, -1.7759178471224044, 6.603299130788964]], calculator=SinglePointDFTCalculator(...))"
136201,HfIr2Nb2Ru,7.1012490697607555,0.11683461166666653,6,0.8395863963700806,-0.5818333625793457,True,"Atoms(symbols='HfNb2Ir2Ru', pbc=True, cell=[[3.0133840421986284, 4.897441071089115e-06, 2.2431262048660043e-06], [-2.38428052145128e-06, 4.678966718947938, -0.00646253251623775], [9.328459183026886e-07, 1.0779363230059442, 6.813618142152948]], calculator=SinglePointDFTCalculator(...))"
34908,CoNbTi2,7.084762896494203,0.10642570374999849,123,0.8835279043354698,-0.1552284955978393,True,"Atoms(symbols='Ti2NbCo', pbc=True, cell=[[3.0023743586706115, -1.2802838943442425e-05, 5.616145989003964e-05], [7.310215676349098e-06, 3.0022332883659972, 5.5134658107407794e-05], [-0.00011840403839721831, -0.0001077069093781582, 6.558339035019908]], calculator=SinglePointDFTCalculator(...))"
1743,IrOs2Tc,7.054233231042569,0.08685891000000012,123,0.6872278679591101,-0.0774741172790527,True,"Atoms(symbols='TcIrOs2', pbc=True, cell=[[3.8237580530065145, -4.1802525964751506e-05, 1.3496641186994022e-05], [4.155544786521844e-05, 3.823757697831746, 1.1365592578521282e-05], [-1.353138654474086e-05, -1.1917657707165487e-05, 3.8198751782058036]], calculator=SinglePointDFTCalculator(...))"
76750,Nb2RhV,7.042519350005176,0.1179533479166679,123,0.7299665270922511,-0.2656584978103637,True,"Atoms(symbols='Nb2VRh', pbc=True, cell=[[3.136112582521523, -2.309074407574092e-06, 3.819832456606728e-06], [5.750422216107381e-06, 3.1361399351935684, 3.988401249446159e-05], [7.565876309555441e-05, -0.00047144238596623264, 6.259890452139716]], calculator=SinglePointDFTCalculator(...))"
173344,Nb7Si,7.03688760842359,0.14280320270833435,3,0.6972587282505949,-0.0225253105163574,True,"Atoms(symbols='Nb7Si', pbc=True, cell=[[5.400911982811438, -0.01604071055224299, -0.008868145629996133], [-2.6862763269038883, 4.568416552259826, 0.007474311151923072], [0.18671593335704317, -0.004320554269097849, 5.586153054550775]], calculator=SinglePointDFTCalculator(...))"
1782,MoNbTa2,7.02943075422079,-0.012224729999999795,225,0.7481744997783333,-0.0139040946960449,True,"Atoms(symbols='Ta2NbMo', pbc=True, cell=[[3.9096579963147406, 0.6293008480031258, -2.2863750249374957], [2.0119403744364606, 4.10693751600424, -5.441036571000184e-07], [3.9096562759870013, 0.6293016241509897, 2.286372640483233]], calculator=SinglePointDFTCalculator(...))"
48779,HfReTiZr,7.01353291405872,0.08844406110000058,99,0.7276033069185511,-0.2341674566268921,True,"Atoms(symbols='HfZrTiRe', pbc=True, cell=[[3.2000500894266644, -6.137882872649052e-05, 1.8496492790956493e-05], [6.114995961039468e-05, 3.20005733909768, -3.93042413036132e-05], [-3.33310797243796e-05, -7.536563287775581e-06, 7.16759159412274]], calculator=SinglePointDFTCalculator(...))"
80847,HfIrNb3Zr,6.9936328364166425,0.0763241648263886,38,0.7220969381313492,-0.3394283056259155,True,"Atoms(symbols='HfZrNb3Ir', pbc=True, cell=[[3.323271945218547, 2.783379196761094e-07, 8.19739117094883e-06], [-1.5987458557005793e-06, 4.531012343694733, 0.001451735913003356], [1.734181014177125e-05, -2.266989397283307, 7.14997093971409]], calculator=SinglePointDFTCalculator(...))"
14080,Mo2ReRh,6.9847509774174865,0.11451558791666727,38,0.7003652940100243,-0.096745491027832,True,"Atoms(symbols='ReMo2Rh', pbc=True, cell=[[2.7334573617356344, -9.913145193967048e-06, -2.7601306226339626e-07], [1.0208595795826459e-05, 2.7613971299514515, -3.890535086631876], [1.1075510061808675e-05, 2.761439344399946, 3.890507469775618]], calculator=SinglePointDFTCalculator(...))"
143729,MoReSiTc,6.935428093678423,0.1612917841666679,6,0.7263730608323303,-0.0862853527069091,True,"Atoms(symbols='ReSiTcMo', pbc=True, cell=[[3.0690882460126754, 7.451310114536133e-05, -4.0881621157542764e-05], [-0.0001022304001362437, 4.23099573348695, 0.01242878155143558], [5.618781914646886e-05, -0.012601095616320633, 4.2996808897095455]], calculator=SinglePointDFTCalculator(...))"
118340,NbTcTiV,6.914030033452236,0.1073256649999994,99,0.6796587562082521,-0.2119553089141845,True,"Atoms(symbols='TiNbVTc', pbc=True, cell=[[3.046440328662396, 4.635636524298277e-06, -2.95660159752658e-05], [-7.3069681818680395e-06, 3.046460239151632, -3.838848071315443e-05], [-5.950398952310461e-05, 3.099236567504988e-05, 6.453282691619321]], calculator=SinglePointDFTCalculator(...))"
58470,Cr2Ir2,6.883986886987214,0.07245084666666735,63,0.6346419487984266,-0.167225956916809,True,"Atoms(symbols='Cr2Ir2', pbc=True, cell=[[2.66495037183008, 3.510317836853074e-06, 1.8202348106328132e-05], [-5.133164775275149e-06, 3.9526127916354534, -3.345062874071991e-05], [-1.3324619493165506, 2.9951111881826383e-05, 4.827969290773889]], calculator=SinglePointDFTCalculator(...))"
25957,IrMoOsRu,6.86009333608179,0.08554389125000839,119,0.6716898031899259,-0.0722750425338745,True,"Atoms(symbols='MoIrOsRu', pbc=True, cell=[[3.844626277577004, 0.0006694504829927523, 5.3224717304263036e-05], [0.0006751801000668985, 3.844592055570675, -2.7780079523221096e-05], [-1.9225997811769298, -1.9225052386028034, 3.8250274412043783]], calculator=SinglePointDFTCalculator(...))"
20752,HfNb2Tc,6.853518380276896,0.1756689250000001,6,0.6989750977545504,-0.1188265085220336,True,"Atoms(symbols='HfNb2Tc', pbc=True, cell=[[2.9462441798092307, -7.223657779963797e-06, 0.00474515251232597], [6.864271820761618e-06, 4.452397734209859, 0.00021231923493066063], [-1.0311498107978687, -0.0002454576152520949, 5.255640644899293]], calculator=SinglePointDFTCalculator(...))"
150269,IrMoOsTc,6.835934959479871,0.06816988375000044,99,0.6630050669005616,-0.1444175243377685,True,"Atoms(symbols='TcMoIrOs', pbc=True, cell=[[2.7219359472411706, 0.0005610314914994604, 1.7451840235168747e-05], [-0.0005586654670736381, 2.721938362844688, 4.437053256760312e-05], [-1.5066535051510897e-05, -6.178381128710072e-05, 7.727719796824841]], calculator=SinglePointDFTCalculator(...))"
54581,AsMo6Os,6.825052261512865,-0.007072076249999171,148,0.6911976617375343,-0.1030653715133667,True,"Atoms(symbols='Mo6AsOs', pbc=True, cell=[[4.934438449149593, 0.003476780181995615, 0.002310424139332543], [-0.002902874284723288, 4.934446389572613, -0.003166854768140004], [-0.0019903230360396036, 0.002611642468635372, 4.934451532178869]], calculator=SinglePointDFTCalculator(...))"
21847,MoNb2Os2Ru,6.810643434151782,0.09121593509259185,6,0.7664001395254392,-0.1759591102600097,True,"Atoms(symbols='Nb2MoOs2Ru', pbc=True, cell=[[2.992639653459847, -5.2025262484687676e-05, 4.1857765489694706e-05], [8.535290202220424e-05, 4.607112602968262, -0.0033732972409952146], [-7.659494150933757e-05, 1.1634022738256364, 6.652453432894964]], calculator=SinglePointDFTCalculator(...))"
21011,Mo3NbRu2,6.792699968634652,0.13505102291667015,10,0.6801628769143571,-0.0986757278442382,True,"Atoms(symbols='NbMo3Ru2', pbc=True, cell=[[2.984400119685109, -3.5518377667675366e-05, -5.539369626056798e-06], [5.379678806864208e-05, 4.553789145930976, -0.008678806606941978], [-2.182541819966793e-05, -2.7875625805969952, 6.669643759817559]], calculator=SinglePointDFTCalculator(...))"
15107,HfTcTiZr,6.764937283802545,0.05078930750000055,99,0.7031390803945963,-0.2854992151260376,True,"Atoms(symbols='HfZrTiTc', pbc=True, cell=[[3.184194708821012, 8.145878604412083e-05, 4.9394191394949424e-05], [-8.258827558993506e-05, 3.1841941343949, 2.0230771322026524e-05], [5.0052522444509707e-05, -0.00010478113160869024, 7.1871486895111545]], calculator=SinglePointDFTCalculator(...))"
13617,IrMoNb2,6.750351990231484,0.13777847687500255,6,0.7238418408193201,-0.3197636604309082,True,"Atoms(symbols='Nb2MoIr', pbc=True, cell=[[2.770318748478226, 2.2820333127837397e-06, -0.0015242775549906453], [3.7247948414071617e-06, 4.511018243396468, 3.5395375245022087e-06], [-0.9576527534735568, 3.1942852520884323e-06, 5.116121026124794]], calculator=SinglePointDFTCalculator(...))"
8213,Hf3Mo,6.73656882596311,0.04946764437499951,71,0.8575978259191546,-0.0166592597961425,True,"Atoms(symbols='Hf3Mo', pbc=True, cell=[[3.3579419591814474, 0.0004273042977819927, 6.041538200405658e-05], [1.677496952912265, 5.4522558736371876, -0.007634962920691798], [-0.0004375540330036981, 2.1396777555036075, 4.323017400327145]], calculator=SinglePointDFTCalculator(...))"
175445,Nb4TcZr,6.719742823097177,0.051530270000000655,6,0.692908768752989,-0.0240401029586792,True,"Atoms(symbols='ZrNb4Tc', pbc=True, cell=[[3.2251490268479124, 0.00013034065487391156, 0.00012939554123334151], [-0.0001375974270829945, 3.2251362105837, -0.0026701259005281843], [-0.0004801340808566608, 0.007915464091929655, 10.119330408765007]], calculator=SinglePointDFTCalculator(...))"
10491,CrIrRe2,6.715512339684447,0.10216778500000068,123,0.6759704478326338,-0.0832066535949707,True,"Atoms(symbols='CrRe2Ir', pbc=True, cell=[[3.811440211671817, -2.3098701542450826e-08, -2.3098701542450826e-08], [-2.3098701542450826e-08, 3.792588749227432, 2.1558788106287436e-07], [-2.3098701542450826e-08, 2.1558788106287436e-07, 3.7925302325168575]], calculator=SinglePointDFTCalculator(...))"
17501,MoNb2Os3,6.687249410225143,0.13866767000000024,2,0.7540252296206496,-0.1585863828659057,True,"Atoms(symbols='Nb2MoOs3', pbc=True, cell=[[2.9918328025874468, -4.522174614968177e-05, 0.000156082909054733], [4.914398125324667e-05, 4.620902189824092, 0.2654901701927926], [-0.00036681311296586557, 0.7712843188221786, 6.71677966320991]], calculator=SinglePointDFTCalculator(...))"
96758,MoNb2Os3,6.684199897797212,0.13861863500000204,6,0.7537830299963982,-0.1588819026947021,True,"Atoms(symbols='Nb2MoOs3', pbc=True, cell=[[2.9918207790343496, -2.528081166343466e-05, 2.7615183467640317e-05], [4.289154454162217e-05, 4.620836884986329, -0.2694162585714334], [-6.882482037393418e-05, -0.7654160573421441, 6.717258463412587]], calculator=SinglePointDFTCalculator(...))"
108976,NbTcVZr,6.6734609709213215,0.19203044500000033,6,0.6676522823136911,-0.1327666044235229,True,"Atoms(symbols='ZrNbVTc', pbc=True, cell=[[2.916376611753084, -0.00012279314995943097, 0.011476618604590153], [0.00023181075215599826, 4.397863670973789, 2.9776307850118374e-05], [-1.1654716766287032, -0.00014437770950602436, 5.095692748140632]], calculator=SinglePointDFTCalculator(...))"
139178,Nb2TcZr,6.6400339071925565,0.13690349750000053,6,0.6725292262946081,-0.0991721153259277,True,"Atoms(symbols='ZrNb2Tc', pbc=True, cell=[[2.9551573437174308, -7.307224503459488e-06, -0.01268490746630592], [1.1981676827174802e-05, 4.473828744458303, 0.00020619461566262162], [-1.9156881708546065, -0.00023248916392744343, 5.248369106772816]], calculator=SinglePointDFTCalculator(...))"
74461,HHfNb2Sn,6.640017500948317,0.14752385086666475,123,0.825034900180882,-0.382952332496643,True,"Atoms(symbols='HfNb2SnH', pbc=True, cell=[[4.1523171681879285, -1.197696423327506e-05, -0.00015802152104177735], [9.283944036806224e-06, 4.152178488216964, -5.792318636078419e-05], [0.0001556498030979484, 5.7145296696498054e-05, 4.493978577415255]], calculator=SinglePointDFTCalculator(...))"
49720,Os2RuTa,6.61792723936384,0.07954129333333704,139,0.7111307900202785,-0.0095521211624145,True,"Atoms(symbols='TaOs2Ru', pbc=True, cell=[[3.855653572677405, -0.0029949287833043875, 0.00019214183890606988], [0.0034470187409082606, 3.8556630832597514, 0.0002393477060150883], [-1.9302126011215637, -1.9270430114098314, 3.9393490876394757]], calculator=SinglePointDFTCalculator(...))"
2076,HInNb3,6.6141762021981645,0.06569039400000065,221,0.7408175919309703,-0.2272772789001464,True,"Atoms(symbols='Nb3InH', pbc=True, cell=[[4.205836893661931, -3.795236484317211e-07, 6.904771815063402e-05], [-3.795236484317211e-07, 4.205580020116603, 2.9850174595753343e-07], [-9.401952135530995e-05, 2.9850174595753343e-07, 4.206076914651545]], calculator=SinglePointDFTCalculator(...))"
2019,HLa3Y,6.60697959737033,0.12884708466666694,221,0.8832442188620448,-0.2254105806350708,True,"Atoms(symbols='La3YH', pbc=True, cell=[[5.158639243109226, -2.5451461564700232e-05, -8.636255958447435e-06], [6.152083976729689e-05, 5.158499165455522, -2.2676085334596612e-05], [2.0352759020759873e-05, 5.362047902137692e-05, 5.158690219621877]], calculator=SinglePointDFTCalculator(...))"
289,IrNb3Ru2,6.572806709865815,0.048281308333335105,6,0.7359156823207403,-0.3140063285827636,True,"Atoms(symbols='Nb3IrRu2', pbc=True, cell=[[3.0067357418397753, -0.00010527112000133756, 4.26272404091053e-05], [0.00014646469520643136, 4.609968044122356, -0.05585265308222388], [-0.00019984442464562305, -2.867838952155347, 6.780423134975836]], calculator=SinglePointDFTCalculator(...))"
45148,AsMo6Pt,6.564943411127227,-0.021930644999999416,148,0.6009404150966219,-0.1021879911422729,True,"Atoms(symbols='Mo6AsPt', pbc=True, cell=[[4.937822134554138, -0.0014116106274721504, 0.001105123173773203], [0.0012584988291759155, 4.937845403763869, -0.0014421234615400297], [-0.000965871341220968, 0.001247322240420427, 4.93787285983825]], calculator=SinglePointDFTCalculator(...))"
1222,MoNb2Ta,6.558683271505554,-0.002395292500001034,47,0.6831840873560637,-0.0101596117019653,True,"Atoms(symbols='TaNb2Mo', pbc=True, cell=[[3.23549648082666, 1.145687533365761e-06, 2.0100414804580384e-05], [1.5888617941232906e-06, 4.505392881167016, -1.0833148596295161e-07], [-6.380067968757469e-05, -1.1161425826485924e-07, 4.636889706183729]], calculator=SinglePointDFTCalculator(...))"
835,ReRuTc2,6.557285236022924,0.02476591583333132,8,0.636070065104122,-0.0700641870498657,True,"Atoms(symbols='ReTc2Ru', pbc=True, cell=[[2.720716692604687, -0.0011795557557143772, -0.00033681741183224967], [0.0020926213906356118, 4.730614159854612, -0.0030977018602282493], [-1.3616163378045323, -2.3626482507921835, 4.345110818808065]], calculator=SinglePointDFTCalculator(...))"
8138,Ir3Nb2V,6.544670971756662,0.07389804333333672,10,1.0727094960379615,-0.4988331794738769,True,"Atoms(symbols='Nb2VIr3', pbc=True, cell=[[2.8053659377084266, -3.41005304712346e-05, -1.4200737703949993e-05], [5.706445359177342e-05, 4.725930345723415, -0.0042236592437138384], [3.838974448149491e-05, 0.2913858607343302, 6.752738272106189]], calculator=SinglePointDFTCalculator(...))"
199719,IrNb2Rh,6.5214226473071335,0.042917691666668034,47,0.7163957552210458,-0.4218497276306152,True,"Atoms(symbols='Nb2IrRh', pbc=True, cell=[[2.8344085135265074, 2.880914256741552e-09, -0.0001078268588013228], [5.761828513483104e-09, 3.841899347453818, 1.3252205581011138e-07], [0.00035136206458071315, 1.8149759817471775e-07, 5.679322361555822]], calculator=SinglePointDFTCalculator(...))"
63104,La3N,6.51224338561174,0.15990958874999972,160,0.9221485445340211,-0.767913281917572,True,"Atoms(symbols='La3N', pbc=True, cell=[[3.636450174230938, 0.0015108970656238505, -0.0005235102161497229], [1.8168360040818083, 3.1501126456895867, -0.0014713468155636074], [1.8172266970653013, 1.0531170913501229, 9.451740389305007]], calculator=SinglePointDFTCalculator(...))"
1391,MoNb2Os3,6.49933884381922,0.09517683000000154,10,0.7412500568147112,-0.1880228519439697,True,"Atoms(symbols='Nb2MoOs3', pbc=True, cell=[[2.9907855598470934, 2.9642701752508007e-05, 0.00010819495229723429], [-9.857971076577773e-05, 4.630032657723154, 0.0054167294984067745], [-0.00013353761379347477, -1.156972216231512, 6.659580088314423]], calculator=SinglePointDFTCalculator(...))"
185382,HHf2Nb,6.494639479696579,0.1842681787500009,1,0.7548780129509589,-0.1935954093933105,True,"Atoms(symbols='Hf2NbH', pbc=True, cell=[[3.04769503261801, -0.11779648313059762, 0.12481485364636578], [1.0445060574786533, 2.868026748577809, 0.037275622973492226], [0.7575158962127948, -1.5569884544849888, 7.174041247772452]], calculator=SinglePointDFTCalculator(...))"
15758,MoNb6Rh,6.4924370621164655,0.0437933462500002,200,0.6635946062429251,-0.1217991113662719,True,"Atoms(symbols='Nb6MoRh', pbc=True, cell=[[5.137271055823805, 5.86479120686341e-05, 1.3161924848795593e-05], [-0.00017175608777755577, 5.137256883446475, -1.9479857116935306e-05], [-6.826283619640483e-05, 9.369082080733484e-05, 5.137245528877353]], calculator=SinglePointDFTCalculator(...))"
78557,HNb3,6.464866246401184,0.02916877500000048,22,0.6505154799631145,-0.1196666955947876,True,"Atoms(symbols='Nb3H', pbc=True, cell=[[2.9084661039218127, 0.011544714515354269, 0.0021311754461931075], [0.9957896185294857, 2.732716026243608, 0.002167892576349964], [1.9422880082675245, 1.3650749927575523, 7.005350778523715]], calculator=SinglePointDFTCalculator(...))"
19324,HfRhZr2,6.460048982295633,0.07848364406249964,123,0.7905953458580177,-0.4399609565734863,True,"Atoms(symbols='HfZr2Rh', pbc=True, cell=[[3.27570365655652, -4.969135343154124e-08, -1.3251027581744332e-08], [-4.969135343154124e-08, 3.275691651125531, -1.8153907786989733e-06], [-3.312756895436083e-08, -3.981933788314172e-06, 7.241095574280375]], calculator=SinglePointDFTCalculator(...))"
93252,H2GeNb7,6.45689517796002,0.08541176225000058,148,0.6514520657945866,-0.1423132419586181,True,"Atoms(symbols='Nb7GeH2', pbc=True, cell=[[5.23540520737704, -0.0005855331725281539, -0.0007268385206669784], [-0.037117670174468737, 5.235292644712573, 0.00046894642603125], [-0.036939387924604924, 0.03697310622357582, 5.235127476611151]], calculator=SinglePointDFTCalculator(...))"
49145,Al2LaNb2Zr,6.436797114571673,0.14644441693750032,44,0.7742466900664395,-0.2430696487426757,True,"Atoms(symbols='LaZrNb2Al2', pbc=True, cell=[[5.268862916729701, 5.988951809890514e-06, 5.056921184476302e-05], [2.6344173201607566, 4.970875486159211, 0.02426498152946925], [2.6343907067561516, 1.4408075459935479, 4.757578363207501]], calculator=SinglePointDFTCalculator(...))"
59761,Ir3Nb2Tc,6.425936910162366,0.07997220166666885,38,0.6742356942872694,-0.4782049655914306,True,"Atoms(symbols='Nb2TcIr3', pbc=True, cell=[[3.897481870031686, -8.674696738009822e-08, -0.0002865252332564644], [-8.674696738009822e-08, 3.898963042955349, 2.7601307802758527e-08], [-1.9479241847166513, 9.069001135192088e-08, 5.954211265747353]], calculator=SinglePointDFTCalculator(...))"
86196,Mo2NPt,6.399294985801302,0.16143067843749925,160,0.6419079429141227,-0.4083040952682495,True,"Atoms(symbols='Mo2PtN', pbc=True, cell=[[2.8289899705645913, 0.0003488522853402905, 0.00013375486809976921], [1.4141800404710394, 2.450153252523464, 5.913331058158659e-05], [1.4141249996878407, 0.8170833604184173, 7.226260495697544]], calculator=SinglePointDFTCalculator(...))"
4899,Ir3MoNb2,6.398726581497654,0.010345742500001975,10,0.6823734647957591,-0.4441207647323608,True,"Atoms(symbols='Nb2MoIr3', pbc=True, cell=[[2.804233316695228, -1.1052604963621478e-05, 1.5317576789121628e-05], [-1.9988331030487726e-05, 4.814418179990211, -0.010452384667213216], [-1.773808308795837e-05, -1.4984654989641397, 6.774286066282405]], calculator=SinglePointDFTCalculator(...))"
28693,ReTc2Ti,6.398517922982479,0.04884779750000057,123,0.6672500643880472,-0.3440622091293335,True,"Atoms(symbols='TiReTc2', pbc=True, cell=[[3.054189524551445, 3.662164964835371e-05, 7.686975384325758e-06], [-6.123721039047175e-05, 4.343772920268955, -5.45815272583483e-05], [-1.2424762775786447e-05, 5.679187901082963e-05, 4.343753950648483]], calculator=SinglePointDFTCalculator(...))"
20850,CrMoZr2,6.36171083493336,0.17900409562499853,99,0.7165382295096575,-0.0396335124969482,True,"Atoms(symbols='Zr2CrMo', pbc=True, cell=[[3.080910960269913, 8.806980244629154e-06, -4.58976770587859e-05], [-8.01397884548352e-06, 3.0809096945774836, -2.156963805676123e-05], [0.000100002141146377, 3.8032969064906266e-05, 7.346810908354316]], calculator=SinglePointDFTCalculator(...))"
17492,Hf2Sc,6.352644458434241,0.12429685833333437,71,0.7717455828338228,-0.0049841403961181,True,"Atoms(symbols='Hf2Sc', pbc=True, cell=[[3.1402513323206, -0.000974850891220494, 0.0004452039619609302], [-1.5675031944761115, 5.248533008824731, -0.011224021412183788], [-0.0006250675459271262, -1.8549367296173822, 4.014978757708242]], calculator=SinglePointDFTCalculator(...))"
184750,Hf2MnNb,6.3329286259447315,0.1298501743750009,123,0.7864274580272292,-0.0582739114761352,True,"Atoms(symbols='Hf2MnNb', pbc=True, cell=[[3.1330221373375298, 5.410316764384919e-05, -6.913605576820747e-06], [-8.644386596626034e-05, 3.133031503543892, 6.980235093623518e-06], [-1.5473912068909953e-05, 1.5616689604915886e-05, 7.058980293317645]], calculator=SinglePointDFTCalculator(...))"
2448,AuHfNb2,6.325698311824597,0.1445231787499992,47,0.770717152466637,-0.2330603599548339,True,"Atoms(symbols='HfNb2Au', pbc=True, cell=[[4.3563543248377465, 3.751338114096624e-05, 1.7964027841956778e-08], [-2.827987083020046e-05, 3.554746085295001, 2.6946041762935167e-08], [1.7964027841956778e-08, 2.6946041762935167e-08, 4.652916918578023]], calculator=SinglePointDFTCalculator(...))"
41041,IrMoReTc,6.297532370198088,0.07925153718749911,44,0.6562558915374012,-0.0591191053390502,True,"Atoms(symbols='ReTcMoIr', pbc=True, cell=[[3.863095919699663, 0.0007976090095158268, 0.0004752598006092587], [-0.0011368220365512932, 3.863662280821083, 0.0017706110985292497], [-1.931409908081905, -1.9339709672169358, 3.875983035543581]], calculator=SinglePointDFTCalculator(...))"
3664,Re3Rh,6.288311871798441,0.16879375124999996,221,0.6802783752087801,-0.1826624870300293,True,"Atoms(symbols='Re3Rh', pbc=True, cell=[[3.849765011564442, -2.3313879642992505e-08, -0.00040915858773451846], [-2.3313879642992505e-08, 3.849693317498893, -8.159857875047376e-08], [0.00041180859872060526, -8.159857875047376e-08, 3.8498459107268035]], calculator=SinglePointDFTCalculator(...))"
30936,HNb2Ta2,6.286805511262496,0.07406136200000013,38,0.6820589039483939,-0.1154435873031616,True,"Atoms(symbols='Ta2Nb2H', pbc=True, cell=[[3.29338891960224, 2.0257415151177902e-07, 1.687010966688258e-05], [-3.342805588717324e-05, 3.3681510787573496, -3.3120911796340375], [3.41021960963026e-05, 3.3681678990537, 3.3121072726559757]], calculator=SinglePointDFTCalculator(...))"
59325,AsNb6Pb,6.227739940883792,0.14498295781250015,146,0.6705869829400635,-0.0226593017578125,True,"Atoms(symbols='Nb6AsPb', pbc=True, cell=[[5.205948944606182, 0.001324810220803164, 0.0011606229845838906], [-0.0015550969600145058, 5.205909995753947, 0.0013868907303646667], [-0.00136481531309822, -0.0016388990464221557, 5.205972060419907]], calculator=SinglePointDFTCalculator(...))"
47764,MoNbTc,6.2091511534845445,0.02764508333333282,42,0.6394580798459096,-0.1550949811935424,True,"Atoms(symbols='NbTcMo', pbc=True, cell=[[3.1402141803199988, -0.0011894628043057865, -0.0005045527674127], [-1.5714075326388235, 2.2437198323302767, -0.0012010625588943006], [-8.741618290752167e-05, 2.247915666059973, 6.634541180131286]], calculator=SinglePointDFTCalculator(...))"
37183,Re2RuTc,6.206408875977583,0.05965724916666737,156,0.6413714322543853,-0.0671545267105102,True,"Atoms(symbols='Re2TcRu', pbc=True, cell=[[2.7358336610109366, -3.094546089695643e-06, -4.195994697892398e-07], [-1.3679084716423464, 2.369299376470545, -9.385777613706678e-07], [-1.327811480056739e-06, -4.231881494650687e-06, 8.727753123394061]], calculator=SinglePointDFTCalculator(...))"
17389,Mo3N2Ta,6.192623663014458,0.16135005319444495,12,0.6251197531341391,-0.5129960775375366,True,"Atoms(symbols='TaMo3N2', pbc=True, cell=[[2.973635976250286, -1.6599977477403677e-05, 1.7310377380282818e-05], [-2.6413687528147562e-05, 5.156093354923154, -0.0001151147589458669], [-1.486784851117015, -0.8784367208987361, 4.728363716589205]], calculator=SinglePointDFTCalculator(...))"
28367,IrNb7,6.185262628842975,0.042799079374999494,200,0.6606931790415045,-0.1188033819198608,True,"Atoms(symbols='Nb7Ir', pbc=True, cell=[[5.170829310515427, -4.455267384899641e-07, -7.442917278302931e-07], [-4.455267384899641e-07, 5.170838928651487, 6.289789249270081e-07], [-7.442917278302931e-07, 6.289789249270081e-07, 5.170845532930199]], calculator=SinglePointDFTCalculator(...))"
16119,Re2RuTc,6.17868095177016,0.0450030891666664,25,0.63958437023616,-0.0725718736648559,True,"Atoms(symbols='Re2TcRu', pbc=True, cell=[[2.731660275270256, -2.4247386775329173e-07, 1.6091447587263908e-06], [-3.885092653774334e-07, 4.3688947030111684, -5.620985116099036e-07], [2.807737173188685e-06, -6.14450823965728e-07, 4.735903174041014]], calculator=SinglePointDFTCalculator(...))"
9160,Mo2NbOsRu2,6.161216963717961,0.10416951777777861,1,0.6858465259295203,-0.0703777074813842,True,"Atoms(symbols='NbMo2OsRu2', pbc=True, cell=[[2.8960115890547775, -0.002156379856869265, -0.004540476228033417], [0.0037947029438332633, 4.613278936635234, 0.23291008610960318], [0.010809768889093001, 0.6732178436163784, 6.710952217638193]], calculator=SinglePointDFTCalculator(...))"
56931,HfNbPtZr,6.128052357550351,0.061873541249999775,25,0.7206191023307682,-0.6018861532211304,True,"Atoms(symbols='HfZrNbPt', pbc=True, cell=[[3.415237635001989, -0.00017296048685352006, -0.00019345441744657725], [0.0002301915577295655, 4.554452294375032, -0.0014549723863350966], [0.0002718527662561426, 0.001426025356821769, 4.711146163222616]], calculator=SinglePointDFTCalculator(...))"
4615,NZr3,6.12206754475255,0.1536903662500002,164,0.6702059713105925,-1.103959083557129,True,"Atoms(symbols='Zr3N', pbc=True, cell=[[3.216122129144952, -0.0008692129906811152, 0.00230200668557044], [-1.6073635086286084, 2.785693986896305, -0.0007046572774408911], [-0.00526148460529056, -0.001160977747399012, 7.922560421050352]], calculator=SinglePointDFTCalculator(...))"
86806,Ir2TaV,6.086811106508512,0.09561129194444717,47,0.8417358736809404,-0.5476514101028442,True,"Atoms(symbols='TaVIr2', pbc=True, cell=[[2.795965033873913, -5.164978035909554e-07, -2.4865276773968944e-06], [-6.914861304906232e-07, 3.7324722723484203, -5.447217272844502e-07], [-4.981522531901837e-06, -8.156713947420005e-07, 5.59194277133588]], calculator=SinglePointDFTCalculator(...))"
34892,MnTaTi2,6.08553986096073,0.1341504162499998,65,0.6789527056980244,-0.0858744382858276,True,"Atoms(symbols='TaTi2Mn', pbc=True, cell=[[2.965485304551035, 0.01612094030384866, -6.913329049708871e-05], [-0.01607320077367233, 2.965483497007604, -4.4649020593770815e-05], [0.00019463016167391376, 0.00012604243154930346, 6.782787330808802]], calculator=SinglePointDFTCalculator(...))"
162167,Mo4NbTc,6.068158397590044,-0.01750294166666677,99,0.6250971738982058,-0.1212402582168579,True,"Atoms(symbols='NbTcMo4', pbc=True, cell=[[3.1361976542365486, 9.498576751208818e-09, -2.5234552235711424e-06], [9.498576751208818e-09, 3.1361930347620555, -5.287541058172908e-07], [-7.6083599777182635e-06, -1.5894285097022756e-06, 9.44891037145864]], calculator=SinglePointDFTCalculator(...))"
130392,HfNb6Sn,6.067294699018038,0.04608033362500308,200,0.6727909110468627,-0.0749793052673339,True,"Atoms(symbols='HfNb6Sn', pbc=True, cell=[[5.278030971300537, 0.00022435042316338783, 5.9227441468631515e-05], [-0.00032613086558599095, 5.278136299610117, 8.839700990425767e-05], [-9.548204175323384e-05, -0.00012817272118329076, 5.27802084676862]], calculator=SinglePointDFTCalculator(...))"
15106,Ir3MoNb2,6.048497827750957,0.009233507500001181,6,0.6670389875043629,-0.4414334297180176,True,"Atoms(symbols='Nb2MoIr3', pbc=True, cell=[[2.80433113735912, -1.195706796819257e-05, 3.104457584986249e-05], [2.3271343985668798e-05, 4.823732453318399, 0.012315845424118288], [-9.083560411516797e-05, -1.6906771511479937, 6.758713095152689]], calculator=SinglePointDFTCalculator(...))"
84481,HfNb4Tc,6.0421153777889804,0.08055454666666684,99,0.674141127138827,-0.0631433725357055,True,"Atoms(symbols='HfNb4Tc', pbc=True, cell=[[3.2227987394040776, -0.00012985247455393097, -0.00015003895026199742], [0.00012230013447705996, 3.2227999043230846, -0.0001225390083183128], [0.0010535056293018972, 0.000852563645142237, 10.075996993834282]], calculator=SinglePointDFTCalculator(...))"
92296,HfNbReTi,6.0316397855059884,0.13897616859999928,6,0.6679455119924688,-0.0854891538619995,True,"Atoms(symbols='HfTiNbRe', pbc=True, cell=[[2.9195924524189305, 7.114667040224459e-06, 0.009973294566464369], [1.082034641188432e-05, 4.473199140172236, -1.4072087477808427e-05], [-1.2031706533580013, -1.9329464456656526e-05, 5.2419049842053225]], calculator=SinglePointDFTCalculator(...))"
71167,HfSc2Zr,6.002276884248708,0.11384731525000014,99,0.7176765024075793,-0.0143427848815917,True,"Atoms(symbols='HfZrSc2', pbc=True, cell=[[3.161644796976719, -9.431727238699485e-05, -8.760765847361112e-05], [0.00010545956849600756, 3.161648776823755, 4.716501415349113e-06], [0.00041726846564853643, -4.10485505195225e-05, 9.08129743393984]], calculator=SinglePointDFTCalculator(...))"
7407,Ir2MoNb3,5.990218489572933,0.07045332958333539,10,0.6929894585612237,-0.4144842624664306,True,"Atoms(symbols='Nb3MoIr2', pbc=True, cell=[[3.068767370180965, 1.400098599619596e-06, -7.653872344587126e-07], [1.244532088550752e-07, 4.6472373988678966, 0.0009261621123181413], [1.3845419485127115e-06, -1.6044589638034328, 6.724537319488535]], calculator=SinglePointDFTCalculator(...))"
24505,Ir3Mo2Os,5.961790260249965,0.1373771737500018,1,0.6458241606687403,-0.1801037788391113,True,"Atoms(symbols='Mo2Ir3Os', pbc=True, cell=[[2.7246292051905034, -0.0012307822710971976, -0.0011549194173593505], [0.00210905733487429, 4.720751614970417, 0.0024757604066040165], [0.0028533659903905205, -0.022138479484210265, 6.741034812739282]], calculator=SinglePointDFTCalculator(...))"
25870,IrNb6Tc,5.935837802019875,-0.019120508125000768,200,0.6145129460236679,-0.2736134529113769,True,"Atoms(symbols='Nb6TcIr', pbc=True, cell=[[5.118590717759686, -6.388197694324992e-06, -5.848934252596259e-06], [-1.1044530104636552e-06, 3.621079841744303, -3.6210797535954713], [-1.4700114012509215e-05, 3.6208834150356535, 3.6208833372572724]], calculator=SinglePointDFTCalculator(...))"
44082,La3Sb,5.923954150812922,0.1517746649999996,123,0.8672357024799072,-0.6213918924331665,True,"Atoms(symbols='La3Sb', pbc=True, cell=[[4.914359970122427, -5.2505303025731284e-05, -0.0003228032361922079], [3.494417378686318e-05, 4.914646162114254, 6.133533561485228e-05], [0.00022869537065974964, -4.111282960682614e-05, 4.914457525905447]], calculator=SinglePointDFTCalculator(...))"
23674,Re2RuTc,5.916637941656132,0.04881604416666718,187,0.6232884230815475,-0.0680234432220459,True,"Atoms(symbols='Re2TcRu', pbc=True, cell=[[2.7345531795711824, 3.7375011129104325e-05, -1.714586923915002e-05], [-1.3673294875273554, 2.368163528032098, 1.1849602508332972e-05], [7.456767817670947e-05, -7.163083334892725e-05, 8.729789280544411]], calculator=SinglePointDFTCalculator(...))"
99209,HfNb2Sb,5.893596973638283,0.17527591312500057,47,0.790685069886989,-0.0430414676666259,True,"Atoms(symbols='HfNb2Sb', pbc=True, cell=[[4.4148729118656656, 0.00021676297259199285, -6.236214004083541e-05], [-0.00018707292669155616, 3.834717896078911, 1.9399055895861746e-05], [0.00014733027473332887, -2.137809243520308e-05, 4.467999482088357]], calculator=SinglePointDFTCalculator(...))"
69443,GaHf2Nb,5.854753729339891,0.10900704541666606,99,0.7254488828855243,-0.1730926036834716,True,"Atoms(symbols='Hf2NbGa', pbc=True, cell=[[3.4358516168315454, 3.4035505213311406e-06, 1.762615029943706e-06], [3.4035505213311406e-06, 3.4357459885624038, 2.117223970879126e-06], [3.274917866285939e-06, 3.938940490978735e-06, 6.299044145924401]], calculator=SinglePointDFTCalculator(...))"
139425,HNbTa4,5.847157095890541,0.07017268000000065,1,0.6777767447392169,-0.1651805639266967,True,"Atoms(symbols='Ta4NbH', pbc=True, cell=[[3.318178892950212, 0.0003633024977375228, -0.005926986646491484], [1.6580433282718896, 5.241953815695148, -0.004269072483848725], [1.67971779961706, 0.0003077387840953008, 5.229126068651716]], calculator=SinglePointDFTCalculator(...))"
174768,HfOs4Zr,5.838081696201186,0.0933807749999982,82,0.7426716286127306,-0.4632270336151123,True,"Atoms(symbols='HfZrOs4', pbc=True, cell=[[5.187917626017295, -0.007911299796413609, 0.012869207357992908], [2.6015360382886494, 4.488477719203659, 0.012753319003120453], [2.5850011197252885, 1.4870113303848767, 4.244244861345969]], calculator=SinglePointDFTCalculator(...))"
56014,HCrPtTcV,5.82856411950222,0.15194546666667108,6,0.6034657785678987,-0.1147637367248535,True,"Atoms(symbols='VCrTcHPt', pbc=True, cell=[[3.7962680395565114, 5.1993595902736e-07, -0.00196001500112655], [5.121757208329218e-07, 3.753105035981896, 4.772546489579499e-07], [0.0020057848859973467, 4.966552444440454e-07, 3.8576573166923294]], calculator=SinglePointDFTCalculator(...))"
95611,AuNb2Ti,5.824183934285137,0.09712602624999978,25,0.7137401995966259,-0.1451610326766967,True,"Atoms(symbols='TiNb2Au', pbc=True, cell=[[3.4792163386014785, 2.46896855672447e-08, 3.527097938177815e-09], [2.46896855672447e-08, 4.526889793409405, 7.05419587635563e-09], [3.527097938177815e-09, 7.05419587635563e-09, 4.270489084165088]], calculator=SinglePointDFTCalculator(...))"
8097,InSnZr6,5.821717461097774,0.08029260437500074,200,0.7240588253112734,-0.3136539459228515,True,"Atoms(symbols='Zr6InSn', pbc=True, cell=[[5.575618008609918, 3.086896128522981e-06, 0.0002771139445779375], [-4.556846665914876e-06, 5.57560213879777, -7.750596891194422e-05], [-0.0005193222175487306, 0.00015928044803823797, 5.575580784939386]], calculator=SinglePointDFTCalculator(...))"
26376,HfOs4Zr,5.810110083916232,0.09348451499999832,8,0.7415198932343026,-0.4417178630828857,True,"Atoms(symbols='HfZrOs4', pbc=True, cell=[[5.187695614690111, 0.002050815461231311, 0.001216742560403706], [2.5921098359964874, 4.49371006482217, 0.0010550164858733435], [2.5923458995030737, 1.4981299669688173, 4.236441143230771]], calculator=SinglePointDFTCalculator(...))"
82478,AuNb2Ti,5.809588648349169,0.09694762874999974,47,0.7125670054447448,-0.1461511850357055,True,"Atoms(symbols='TiNb2Au', pbc=True, cell=[[4.2702300632220656, -2.5656215971930796e-05, -4.522356411424217e-05], [2.0193952709589457e-05, 3.4796974829279828, -5.32700310402545e-05], [4.866340711805839e-05, 7.27250225015367e-05, 4.5265948554669135]], calculator=SinglePointDFTCalculator(...))"
47704,HfOs4Zr,5.784941841998375,0.0931472083333329,5,0.7403163713590027,-0.4617800712585449,True,"Atoms(symbols='HfZrOs4', pbc=True, cell=[[5.187631236091878, 0.0016225304168311608, 0.005590835063931455], [2.592594717120814, 4.493567055201842, -0.0030245535467939245], [2.5888479398284527, 1.5039359818258207, 4.236507906503951]], calculator=SinglePointDFTCalculator(...))"
8072,ReRu2W,5.775476360132385,0.11274265875000111,47,0.644355601744868,-0.0513926744461059,True,"Atoms(symbols='ReRu2W', pbc=True, cell=[[3.8581228455529883, -3.97408445591873e-07, 2.7526379099084143e-05], [-3.97408445591873e-07, 3.858010402339853, -2.7273128619050105e-08], [-2.781079886896852e-05, -2.7273128619050105e-08, 3.821960215987814]], calculator=SinglePointDFTCalculator(...))"
29528,Hf2TcTi,5.771446908942472,0.0692061749999997,99,0.6884851668229902,-0.3098008632659912,True,"Atoms(symbols='Hf2TiTc', pbc=True, cell=[[3.1827569639960727, 5.602918290690525e-05, -1.0741545309495972e-06], [-5.823200130321085e-05, 3.1827481110388787, 2.9104778141580574e-05], [-3.8156534084478225e-07, -0.00014012426017023387, 7.1180592432345815]], calculator=SinglePointDFTCalculator(...))"
78232,HSc2Zr2,5.766236079523712,0.15980983399999982,123,0.6551829767979531,-0.2980508804321289,True,"Atoms(symbols='Zr2Sc2H', pbc=True, cell=[[4.5878015744672345, 2.774627752297892e-05, -1.2053520728445312e-07], [-1.7686223684238022e-05, 4.463582885423682, -4.6359695109405044e-08], [-1.158992377735126e-07, -4.6359695109405044e-08, 4.463611248285149]], calculator=SinglePointDFTCalculator(...))"
108182,Mo2NbOs2Ru,5.7269651329651445,0.06771660138888969,1,0.6680382578078853,-0.079078197479248,True,"Atoms(symbols='NbMo2Os2Ru', pbc=True, cell=[[2.8973494824220727, 1.9984712517393183e-06, 0.0002675104903007357], [1.8995748035989146e-05, 4.6401920358360575, -0.011312931975704953], [-0.000634105243954961, -1.0020096037439055, 6.675224779157208]], calculator=SinglePointDFTCalculator(...))"
94578,MoNiTc2,5.70483087806136,0.11597629777777918,123,0.6047067536394027,-0.0305601358413696,True,"Atoms(symbols='Tc2NiMo', pbc=True, cell=[[3.7635384200312623, -0.00014661438903140989, -6.864125935283781e-06], [0.00013746095560775436, 3.768812141654848, -3.820827622383627e-05], [6.431321534497083e-06, 3.4043482998722167e-05, 3.768607315073911]], calculator=SinglePointDFTCalculator(...))"
7259,Mo2NbOs2Ru,5.685190671723177,0.08926193638889046,6,0.6661705208178335,-0.0601353645324707,True,"Atoms(symbols='NbMo2Os2Ru', pbc=True, cell=[[2.8970068906775044, 6.4181614333575e-05, 7.063005144798745e-05], [0.00011331876173545587, 4.632801228006184, 0.26782539185190835], [0.00014349823969171874, 0.6299596263930601, 6.7207150318379805]], calculator=SinglePointDFTCalculator(...))"
105334,IrMo2Os2Re,5.679454332857053,0.06040017250000318,6,0.6339935102092101,-0.1011706590652465,True,"Atoms(symbols='ReMo2IrOs2', pbc=True, cell=[[2.7321796090534742, -3.3178267089921294e-06, -3.512262937573962e-05], [-1.6892509220762088e-05, 4.748754881352061, -0.008853886716151995], [5.318175596799272e-05, 0.020065854643134127, 6.705544463570554]], calculator=SinglePointDFTCalculator(...))"
186497,BiNb4Zr,5.6783007806142,0.1370260111111108,38,0.6875005465531363,-0.060579776763916,True,"Atoms(symbols='ZrNb4Bi', pbc=True, cell=[[3.5305385971215473, 6.974714250780853e-07, 8.333889335548404e-07], [-9.120780174098038e-07, 4.722295305711876, 0.0002694171160132395], [-8.834638050989079e-07, -2.3607535510981683, 6.924758056682344]], calculator=SinglePointDFTCalculator(...))"
8121,Nb2Rh2,5.670293551426725,0.07099690749999965,11,0.6545493186917515,-0.4093861579895019,True,"Atoms(symbols='Nb2Rh2', pbc=True, cell=[[2.803504974683184, -6.553344026393752e-08, 0.058889620200059375], [-1.1112192044754622e-07, 4.550366865725113, -1.3106688052787504e-07], [-0.5347429827028104, -1.2536832050492395e-07, 4.840271026140069]], calculator=SinglePointDFTCalculator(...))"
4247,ReTi3,5.6578051813404695,0.06689554749999971,71,0.5975421692231042,-0.2072420120239257,True,"Atoms(symbols='Ti3Re', pbc=True, cell=[[3.129285603914813, 5.61658874841818e-07, -0.00010457961320995366], [-1.1137981077371646e-06, 4.4681407750278455, -1.2546888085449425e-05], [-1.5647922904814988, -2.234060188804184, 4.510986027448811]], calculator=SinglePointDFTCalculator(...))"
126276,Ir2MoNbTc2,5.6362306953817845,0.17777979416666767,2,1.633357407767854,-0.2040787935256958,True,"Atoms(symbols='NbTc2MoIr2', pbc=True, cell=[[2.743129713560038, 0.009990278465382514, -0.015304772037231315], [-0.017715302425950995, 4.791212924803526, -0.011941908055408566], [0.043617086200236, -1.589091954821208, 6.733806615783734]], calculator=SinglePointDFTCalculator(...))"
41425,HfLaOs4,5.633547191112592,0.1974926887499997,44,0.7963267824866795,-0.0983138084411621,True,"Atoms(symbols='LaHfOs4', pbc=True, cell=[[5.3083926744934065, 0.00013376389125177294, -8.760200346623241e-05], [2.654050843959025, 4.596475476488384, -0.007239087626539923], [2.6542826717142978, 1.5386039326143808, 4.33128048522526]], calculator=SinglePointDFTCalculator(...))"
65657,HAlHfNb2,5.626935606508058,0.1385835829999964,123,0.6666306510861906,-0.3021570444107055,True,"Atoms(symbols='HfNb2AlH', pbc=True, cell=[[4.041995942331236, -4.2219294892710094e-05, 3.90235259830112e-05], [4.343711987364395e-05, 4.0340637946110425, 3.3314460552257545e-05], [-7.65717673414683e-05, -6.56154291740735e-05, 4.529714082870653]], calculator=SinglePointDFTCalculator(...))"
59257,IrMo4Tc,5.622117995983188,0.10095862666666555,65,0.6670975552745564,-0.1204403638839721,True,"Atoms(symbols='TcMo4Ir', pbc=True, cell=[[3.8537955039869902, -1.3189877761546889e-06, 3.103274447104472e-06], [1.3612876756815158e-06, 3.861330281262678, -0.0011578520770753598], [-8.190798726558272e-07, -1.9276681023818962, 6.052352412892637]], calculator=SinglePointDFTCalculator(...))"
4630,Hf2Mo2,5.620661105658735,0.13429577624999922,11,0.6830425915712184,-0.1707502603530883,True,"Atoms(symbols='Hf2Mo2', pbc=True, cell=[[2.9962762325477548, -3.321662837555209e-05, 0.002754363714393852], [4.8681010316652226e-05, 4.501647131222437, 0.00020041327877002365], [-1.2574417289202298, -0.00021801340655465168, 5.315058865815271]], calculator=SinglePointDFTCalculator(...))"
136651,NReTc2,5.610492940591742,0.17324028249999834,164,0.5744810344358612,-0.1417219638824463,True,"Atoms(symbols='ReTc2N', pbc=True, cell=[[2.791630910343167, -3.719451582862037e-05, -4.5414204826390707e-07], [-1.3957875747988813, 2.417653895146208, 1.5739829995730446e-05], [-3.9180329505501054e-06, -4.9064265760884473e-05, 7.038199662505379]], calculator=SinglePointDFTCalculator(...))"
50681,HgNbTi2,5.586787955960567,0.07381838166666643,123,0.6549425044914909,-0.1028993129730224,True,"Atoms(symbols='Ti2NbHg', pbc=True, cell=[[3.2990872183153854, 4.264980036919636e-05, -1.3483831606617303e-05], [-4.1774487217329724e-05, 3.2991216729128485, -2.414127036407746e-05], [2.8260587601678832e-05, 4.846294878235644e-05, 6.379858287039312]], calculator=SinglePointDFTCalculator(...))"
15752,IrTc2W,5.582374651106758,0.07025900999999735,123,0.6255288112015764,-0.1619400978088379,True,"Atoms(symbols='Tc2IrW', pbc=True, cell=[[3.854501398502097, 1.209100600302326e-07, 2.769230407144037e-07], [1.209100600302326e-07, 3.8545064923259167, -1.0920908647891976e-07], [2.769230407144037e-07, -1.0920908647891976e-07, 3.8714178196921654]], calculator=SinglePointDFTCalculator(...))"
84660,Hf2TcTi,5.580774776517453,0.14704037249999935,6,0.681076109844336,-0.2284929752349853,True,"Atoms(symbols='Hf2TiTc', pbc=True, cell=[[3.048816355595648, 2.3740461437058522e-05, 0.007909678664167582], [-4.2041558758756636e-05, 4.405382887238302, 2.6949717153049127e-05], [-1.3646980504942883, -5.388707913491061e-05, 5.3581114841645725]], calculator=SinglePointDFTCalculator(...))"
2671,H2Ti4,5.575019320900596,0.16313665333333383,134,0.6186968472779943,-0.2834764719009399,True,"Atoms(symbols='Ti4H2', pbc=True, cell=[[4.180501939675146, -5.523625219484893e-05, -6.778053228623402e-05], [6.369772414328322e-05, 4.191205718595953, 0.00016913222925099623], [0.0002969291959367141, -0.0004976249978704812, 4.191556184987279]], calculator=SinglePointDFTCalculator(...))"
65456,HHf2TiZr,5.563107264353567,0.19470068299999888,99,0.7106795654015596,-0.2359108924865722,True,"Atoms(symbols='Hf2ZrTiH', pbc=True, cell=[[4.064363676006022, 5.4540048174897585e-06, 0.00033872376060998995], [-0.00016660052196039188, 4.347139731270181, 0.0037404767496099804], [-1.6233179693001015e-06, 0.00477671189798114, 4.815698623194259]], calculator=SinglePointDFTCalculator(...))"
24096,IrRe2W,5.56084956271159,0.10906107749999983,10,0.6566190719951187,-0.1249659061431884,True,"Atoms(symbols='Re2IrW', pbc=True, cell=[[2.7325557373809355, 0.0026245670575834536, 0.005091192453381499], [-0.004504888346437487, 4.775335450664002, 0.0012109605120498882], [-0.0067659342859034445, -1.6016218623771177, 4.50150851949061]], calculator=SinglePointDFTCalculator(...))"
48322,CrSiTc2,5.545400450309966,0.1272168125000004,99,0.584321744361283,-0.3520132303237915,True,"Atoms(symbols='CrSiTc2', pbc=True, cell=[[2.9645680165652024, 1.1994170115677618e-08, 1.6596932897568903e-05], [1.1994170115677618e-08, 2.9645710930698375, 5.097522299162987e-07], [-3.6648186788452956e-05, 9.895190345434034e-07, 5.812316315502836]], calculator=SinglePointDFTCalculator(...))"
23140,OsReTc2,5.54537574633478,0.009708499583334529,44,0.6048129898242884,-0.0418863296508789,True,"Atoms(symbols='ReTc2Os', pbc=True, cell=[[2.7311827127764543, -0.0005653950933374386, -0.0002713377141389774], [0.0009925468946101984, 4.741568513775928, -8.716340801848145e-05], [-1.3661071466493289, -2.3704264629067495, 4.361983619786809]], calculator=SinglePointDFTCalculator(...))"
43208,IrRu2V,5.528807350133237,0.05946707000000018,123,0.5988419140165284,-0.2312153577804565,True,"Atoms(symbols='VIrRu2', pbc=True, cell=[[3.765787610576623, 5.1290574385180076e-05, -5.984027232707664e-06], [-5.14847126732641e-05, 3.7657449001532446, -2.1610256106922018e-05], [6.688254356149725e-06, 2.2280223532466896e-05, 3.7770103224744864]], calculator=SinglePointDFTCalculator(...))"
70778,IrMo2Os,5.515011392465994,0.05692334874999894,44,0.6315696109370684,-0.0231143236160278,True,"Atoms(symbols='Mo2IrOs', pbc=True, cell=[[3.8603045569133734, -0.0022331609953753044, 0.00016177117661822512], [0.0005500484769629504, 3.860362450810195, -0.00038686781815699543], [-1.9306886526202702, -1.9287629183793056, 3.9315691249361673]], calculator=SinglePointDFTCalculator(...))"
147870,ReRuTcW,5.513382211367058,0.09742422041666465,8,0.6432208498101682,-0.0743212699890136,True,"Atoms(symbols='ReTcRuW', pbc=True, cell=[[2.733184111948708, 0.0015624499608169467, 6.766550223499537e-05], [0.002740235593720736, 4.7569815314439206, 0.01498968521885639], [-1.3678670375490503, -2.3819725237565255, 4.424254419937974]], calculator=SinglePointDFTCalculator(...))"
5382,HHfHgNb2,5.496430733127803,0.17542736949999949,123,0.6848192931556548,-0.3009933233261108,True,"Atoms(symbols='HfNb2HgH', pbc=True, cell=[[4.10857536771788, 1.1003242979382059e-05, 2.1415540231429684e-05], [-1.3317086813170418e-05, 4.107859582624852, -1.9854944120511273e-05], [-2.6363670300448317e-05, 2.4070634414805535e-05, 4.5251478761140795]], calculator=SinglePointDFTCalculator(...))"
199557,Mo4Nb2SbTi,5.421137982494963,0.12948926526785876,6,0.601420395436969,-0.1422057151794433,True,"Atoms(symbols='TiNb2SbMo4', pbc=True, cell=[[5.088547768322052, 2.9304544073639138e-06, 2.1387176025673474e-06], [7.521499645567378e-06, 5.083614410021032, -0.01100231909637465], [-6.889138431346744e-07, 0.010671537628708344, 5.083187134344994]], calculator=SinglePointDFTCalculator(...))"
85060,MoRhTc2,5.380873017049506,0.08817758833333222,123,0.6089629740928393,-0.1297770738601684,True,"Atoms(symbols='Tc2MoRh', pbc=True, cell=[[3.861584659559491, -1.1649815249443355e-08, -3.883271749814452e-09], [-1.1649815249443355e-08, 3.828914100187724, 7.766543499628905e-09], [0.0, 7.766543499628905e-09, 3.8287347007994263]], calculator=SinglePointDFTCalculator(...))"
5520,IrReTc2,5.365174490293141,0.025865463333335725,44,0.5948319444940028,-0.1925454139709472,True,"Atoms(symbols='ReTc2Ir', pbc=True, cell=[[2.7222455562824965, 0.00012951824967018377, -7.497702055800636e-05], [-0.0015316267190089352, 4.761936562845465, -4.076719250653333e-06], [-1.360266896482747, -2.3806641977250953, 4.348004659555367]], calculator=SinglePointDFTCalculator(...))"
117733,HNbTa3,5.3505185392276715,0.12803920599999863,25,0.6599223435711116,-0.1589748859405517,True,"Atoms(symbols='Ta3NbH', pbc=True, cell=[[4.720402782190384, -0.0285688436149532, 5.670611973200752e-06], [-0.025399945703990914, 4.720114055954087, 3.664087736529717e-06], [1.8902039910669174e-06, 3.349053738018564e-06, 3.297710422656504]], calculator=SinglePointDFTCalculator(...))"
24314,CoMoTc2,5.302660550932509,0.08853869194444464,123,0.5936801332150707,-0.0078437328338623,True,"Atoms(symbols='CoTc2Mo', pbc=True, cell=[[3.7515277312058966, 3.039380177625502e-08, -2.74835952561786e-05], [3.039380177625502e-08, 3.7787184973788617, -1.1397675666095633e-08], [2.40984855833482e-05, -1.1397675666095633e-08, 3.7515129256252067]], calculator=SinglePointDFTCalculator(...))"
73251,HHf2Ti,5.293392539474509,0.1994850399999999,8,3.1755337687880716,-0.2105237245559692,True,"Atoms(symbols='Hf2TiH', pbc=True, cell=[[3.073707434322434, -0.015045074634988057, 0.0036857894165313637], [1.451056407189644, 2.7088024074906403, 0.003169061863760191], [1.6871814367098796, 1.0032934464172518, 7.42438026814417]], calculator=SinglePointDFTCalculator(...))"
15984,MnTiV2,5.274842881047948,0.1754821287499997,123,0.5623589965025538,-0.0652862787246704,True,"Atoms(symbols='TiMnV2', pbc=True, cell=[[2.880218098507452, 8.066378064715646e-06, -2.4522605279834595e-05], [-3.2259683951012356e-06, 2.8802204327447463, 2.231367660459816e-05], [4.206581190902108e-05, -4.366568241390868e-05, 6.256601746170713]], calculator=SinglePointDFTCalculator(...))"
182884,Ir2Nb2RhV,5.260250163505592,0.1025678897222253,10,0.831501862915979,-0.4557088613510132,True,"Atoms(symbols='Nb2VIr2Rh', pbc=True, cell=[[2.803207007135147, -7.669055454414457e-05, -5.8693845346420063e-05], [0.00012584868117261936, 4.725832102666938, 0.007752128811412856], [0.0001311054421041264, -0.3392063736474953, 6.722103498060756]], calculator=SinglePointDFTCalculator(...))"
1341,IrTc3,5.237369368015833,0.045732037500000544,44,0.5755429575357431,-0.1936887502670288,True,"Atoms(symbols='Tc3Ir', pbc=True, cell=[[2.7176725094254306, -0.0002677790527969627, 0.00011750325155634414], [0.0004345932215720404, 4.740266197449461, -0.0004977130590900514], [-1.358737060132824, -2.369561064406864, 4.3287251062092365]], calculator=SinglePointDFTCalculator(...))"
173700,IrMo2OsReRu,5.192735454190237,0.06704270972222659,1,0.6088149896732443,-0.0008257627487182,True,"Atoms(symbols='ReMo2IrOsRu', pbc=True, cell=[[2.72739790157427, 0.00219316600803032, 0.0030838924989458286], [-0.0038013021504927883, 4.734441898131552, 0.007003036635706936], [-0.007553726502185688, -0.004073765183599707, 6.6903445585425905]], calculator=SinglePointDFTCalculator(...))"
97498,HfNbTaTc,5.190578399548742,0.19418875625000176,6,0.6419054195972277,-0.1575119495391845,True,"Atoms(symbols='HfTaNbTc', pbc=True, cell=[[2.9394920775915847, -2.9195012254469426e-05, 0.009552230395384564], [2.359641826165791e-05, 4.500620178058321, -0.0001290689180910708], [-1.1273566229993432, 0.00018713978993233207, 5.2178746070904225]], calculator=SinglePointDFTCalculator(...))"
137589,Mo3TcTiZr,5.156639816069456,0.1931605866666608,99,0.5954365342086522,-0.1571247577667236,True,"Atoms(symbols='ZrTiTcMo3', pbc=True, cell=[[3.1288035951816053, -2.2425030478545305e-07, -6.294800808977576e-06], [-2.2425030478545305e-07, 3.128803506744865, -2.5583485475523516e-06], [-1.972770991112591e-05, -8.117229342234005e-06, 9.911890511050252]], calculator=SinglePointDFTCalculator(...))"
133470,CMo2Tc,5.149592732875211,0.06125368749999893,8,0.5874543127295495,-0.069231629371643,True,"Atoms(symbols='TcMo2C', pbc=True, cell=[[2.950093563110306, -0.00032640062568442047, -0.0008060151697957582], [1.4755897250342818, 2.5546150832792693, -0.0006649805789034665], [1.4763024297847993, 0.8520389782373361, 6.762878154429525]], calculator=SinglePointDFTCalculator(...))"
49806,Hf2HgNb,5.14708855481905,0.06659317749999882,123,0.7193148203960387,-0.1203898191452026,True,"Atoms(symbols='Hf2NbHg', pbc=True, cell=[[3.4431939837505934, 1.3334253870677301e-05, -4.971876273482889e-05], [-1.1763674477709041e-05, 3.443116029383162, 3.567060914007511e-05], [9.628940180836443e-05, -6.597826425538056e-05, 6.701884606029139]], calculator=SinglePointDFTCalculator(...))"
85339,Nb4ReTi,5.120638984710818,0.030215399444445623,1,0.6000644110818457,-0.031503677368164,True,"Atoms(symbols='TiNb4Re', pbc=True, cell=[[5.356622743222104, -0.0009817684862289291, 0.004142015416218681], [2.9272552823130678, 4.769316206135168, 0.005287045071959743], [3.4563744573717163, 1.1609171380964232, 3.924072897824209]], calculator=SinglePointDFTCalculator(...))"
146616,Ir2Nb2,5.079044938148388,0.024971787500000175,11,0.6441175298269622,-0.5060156583786011,True,"Atoms(symbols='Nb2Ir2', pbc=True, cell=[[2.818110875333105, -3.399138746534152e-07, -0.061994903530332546], [-5.39863212684836e-07, 4.582693604475951, -1.2168345428769318e-06], [-0.3181599293952284, -1.2882450207452963e-06, 4.886927448093871]], calculator=SinglePointDFTCalculator(...))"
28533,Cr2Ir2,5.042042706331121,0.036495491666668656,2,0.6152386937628556,-0.1505674123764038,True,"Atoms(symbols='Cr2Ir2', pbc=True, cell=[[2.6846939562834597, 0.00019071109562547437, 0.00020586485952405354], [-0.0002916963861329828, 4.377325613149821, -0.00031043234350328904], [-2.6849371709374923, -0.6574232238253883, 4.328126533237885]], calculator=SinglePointDFTCalculator(...))"