mp_ID stringlengths 8 14 | x float64 -9.59 15.2 | y float64 -10.97 15.1 | z float64 -7.56 7.54 | type stringclasses 1
value | generated_from stringlengths 4 10 | formula stringlengths 2 24 | n_atoms int64 2 20 | spacegroup int64 1 229 | volume float64 28.2 1.03k | structure dict |
|---|---|---|---|---|---|---|---|---|---|---|
gen-mp-11019 | 11.000705 | 8.832661 | -0.604941 | generated | mp-11019 | Cu6Ga3O9 | 18 | 8 | 207.61 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.1598522663,
-0.8666374087,
0.0053353794
],
[
-0.8666002154,
3.1687560081,
0.0141034191
],
[
0.0053267069,
0.0... |
gen-mp-1208210 | 8.465169 | 1.60063 | 0.478188 | generated | mp-1208210 | As1Tl2F5 | 8 | 1 | 213.62 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
6.1995735168,
-1.5577706099,
-0.7184240222
],
[
-1.5577119589,
6.0846247673,
-1.2953481674
],
[
-0.7185255885,
... |
gen-mp-973893 | -7.645965 | -7.223833 | 5.520577 | generated | mp-973893 | Tl5Lu6Hg1 | 12 | 1 | 322.68 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
6.0686130524,
-0.4938475192,
-0.5213475227
],
[
-0.4938902557,
7.3442354202,
-0.3372913897
],
[
-0.5214030147,
... |
gen-mp-1221669 | -5.957452 | -1.756867 | 5.010548 | generated | mp-1221669 | Mn1Si3U1Co2 | 7 | 8 | 95.46 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.7290344238,
0.97006464,
0.6346922517
],
[
0.9700257778,
3.732033968,
0.6265210509
],
[
0.634673059,
0.6264632... |
gen-mp-1215682 | 8.755332 | 7.186859 | -3.019374 | generated | mp-1215682 | Yb1B1O3 | 5 | 155 | 62.54 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.0404429436,
0.5537427068,
-0.5220820904
],
[
0.5537713766,
4.0271940231,
-0.5169676542
],
[
-0.5220879316,
-0... |
gen-mp-1104297 | -6.673594 | -5.019872 | 4.467655 | generated | mp-1104297 | He1U1Ga2 | 4 | 8 | 81.43 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.2345805168,
1.0819926262,
0.9655064344
],
[
1.0820015669,
4.2118244171,
0.9653385282
],
[
0.9655493498,
0.965... |
gen-mp-1098 | -5.194953 | -4.875286 | 0.813029 | generated | mp-1098 | Yb6As6 | 12 | 1 | 303.51 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
6.2436695099,
-1.0464634895,
-0.4112105966
],
[
-1.0464352369,
6.3941364288,
-0.4361202419
],
[
-0.4111921489,
... |
gen-mp-1071478 | -8.104211 | -3.384588 | 2.525002 | generated | mp-1071478 | Pt9Ce1In1Ac1 | 12 | 1 | 222.5 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.2272086143,
-0.009836698,
-0.0044992855
],
[
-0.0098384265,
4.237842083,
0.0011915206
],
[
-0.0045232316,
0.0... |
gen-mp-1225518 | 11.976031 | 8.427776 | 2.852781 | generated | mp-1225518 | Pu2Er2Th2Sb3O3 | 12 | 1 | 303.76 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.3596215248,
-0.0500603952,
-0.4696456194
],
[
-0.0501126759,
4.3661460876,
-0.4626825154
],
[
-0.4696703553,
... |
gen-mp-1219939 | -7.124159 | -6.353444 | 2.035954 | generated | mp-1219939 | Au2Pb5Pd1 | 8 | 8 | 221.26 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.7349662781,
-1.2763797045,
-0.009900311
],
[
-1.2762932777,
4.7445297241,
-0.0234203544
],
[
-0.0097464882,
-... |
gen-mp-1212534 | -8.114815 | -6.909394 | 5.581972 | generated | mp-1212534 | Gd2Zn2 | 4 | 1 | 92.9 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.8183207512,
1.2105749846,
1.2104463577
],
[
1.2105317116,
4.797580719,
1.1902289391
],
[
1.2104840279,
1.1902... |
gen-mp-1186305 | -5.136654 | -6.226512 | 3.413656 | generated | mp-1186305 | Th10Ac1 | 11 | 1 | 617.69 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.3231391907,
1.1926454306,
0.2559634447
],
[
1.1926956177,
4.3713417053,
0.2698063552
],
[
0.2559723854,
0.269... |
gen-mp-673245 | -1.140681 | 2.617337 | -3.524575 | generated | mp-673245 | Cu6I4 | 10 | 1 | 240.48 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.1684436798,
-1.0850417614,
-0.0183375478
],
[
-1.0849914551,
4.174238205,
0.00450334
],
[
-0.0184394754,
0.00... |
gen-mp-1416 | 8.433177 | 1.895583 | 0.184018 | generated | mp-1416 | Nb1F5 | 6 | 1 | 101.64 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.0122570992,
-0.5223364234,
-1.0794489384
],
[
-0.5223391652,
5.6027555466,
-0.9870208502
],
[
-1.0794831514,
... |
gen-mp-23966 | 10.256225 | 6.543149 | -3.729872 | generated | mp-23966 | O5Mg2Se1H1 | 9 | 1 | 123.75 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.9015693665,
-1.0628712177,
-1.8908574581
],
[
-1.0628743172,
4.8706979752,
-0.0355067477
],
[
-1.8908008337,
... |
gen-mp-998366 | -0.534491 | 1.544352 | -3.903407 | generated | mp-998366 | Br14Se6 | 20 | 1 | 597.68 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.6337532997,
-0.0371797234,
-0.0291710421
],
[
-0.0372419581,
8.5595149994,
1.4652813673
],
[
-0.0291219726,
1... |
gen-mp-1272804 | 9.142681 | 15.043756 | -0.677053 | generated | mp-1272804 | Mn6Li1O8F2 | 17 | 1 | 201.74 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.077845335,
0.0604034774,
0.2236356139
],
[
0.0605417006,
5.3644924164,
0.1511125416
],
[
0.2238031328,
0.1510... |
gen-mp-1223373 | 7.042937 | 8.429064 | -2.024463 | generated | mp-1223373 | O8La3He1 | 12 | 6 | 183.82 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.023630619,
-0.0040200851,
0.0083724651
],
[
-0.0040770015,
4.1047110558,
-0.011585746
],
[
0.0084050316,
-0.0... |
gen-mp-569157 | -0.913067 | 2.114337 | -3.158686 | generated | mp-569157 | Bi2I8 | 10 | 1 | 485.7 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
8.2169599533,
-1.7585777044,
-0.1778048724
],
[
-1.7585868835,
7.5117530823,
0.2725515366
],
[
-0.1777649969,
0... |
gen-mp-11131 | -3.388904 | -1.278893 | -5.422523 | generated | mp-11131 | S2Ge1 | 3 | 44 | 64.77 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.2465348244,
-0.8856024742,
-0.6509042382
],
[
-0.8855666518,
4.193880558,
-0.9870496988
],
[
-0.6508992314,
-... |
gen-mp-549671 | -6.172695 | -6.545078 | 4.749314 | generated | mp-549671 | Li6Mn1K3 | 10 | 1 | 122.01 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.3556003571,
0.5821046233,
-0.0394549817
],
[
0.5821291804,
3.4779524803,
-0.0680936575
],
[
-0.0396097153,
-0... |
gen-mp-1187098 | -6.05555 | -7.136053 | 3.057328 | generated | mp-1187098 | Sr3Pb3Zn3 | 9 | 1 | 267.14 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.8719005585,
-0.0146369152,
-0.0024232382
],
[
-0.0146869142,
7.6724181175,
-2.0563681126
],
[
-0.002328193,
-... |
gen-mp-4647 | -5.393731 | -3.012933 | -4.480101 | generated | mp-4647 | K1Cu7Se4 | 12 | 1 | 215.52 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.8213961124,
0.6153070331,
0.6228840947
],
[
0.6151658297,
7.6812319756,
0.2233672887
],
[
0.6229080558,
0.223... |
gen-mp-25576 | 12.876717 | 10.482604 | 0.450423 | generated | mp-25576 | Mo2Li1Tc1O4 | 8 | 1 | 91.38 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.3605685234,
-0.1167419478,
-1.0262960196
],
[
-0.1166075841,
4.3024168015,
-1.0114762783
],
[
-1.0262883902,
... |
gen-mp-1184621 | -8.587936 | -6.410679 | 6.80236 | generated | mp-1184621 | Nd1Ag2Os2Ho5 | 10 | 1 | 254.63 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
6.3475542068,
-1.4504477978,
-1.2365760803
],
[
-1.4505199194,
6.3687005043,
-1.1771343946
],
[
-1.2364826202,
... |
gen-mp-1213975 | -3.489042 | 1.426212 | 2.954916 | generated | mp-1213975 | B6Pm2 | 8 | 10 | 89.45 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.0415439606,
0.0082930177,
0.0044689975
],
[
0.0083203185,
5.4459671974,
-0.446803838
],
[
0.00445069,
-0.4469... |
gen-mp-754183 | 12.327444 | 12.805369 | -0.596716 | generated | mp-754183 | Li2O5Ni1V2 | 10 | 8 | 100.67 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
2.8720805645,
-0.7465420365,
0.0259124897
],
[
-0.7465471029,
2.8871943951,
-0.0083510401
],
[
0.0259417128,
-0... |
gen-mp-1215683 | -6.001867 | -5.439801 | 5.247591 | generated | mp-1215683 | Zr1Pa1Al1Th1 | 4 | 8 | 94.46 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.7999157906,
1.1819952726,
1.1932572126
],
[
1.1820398569,
4.8219518661,
1.2084274292
],
[
1.193238616,
1.2084... |
gen-mp-1057015 | -3.20589 | -2.194106 | -5.591895 | generated | mp-1057015 | Pb2S2 | 4 | 6 | 108.58 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.1097121239,
0.0047790417,
-0.8582209349
],
[
0.0047523589,
4.3545088768,
-0.0121011836
],
[
-0.8582069278,
-0... |
gen-mp-864747 | -7.498539 | -7.159302 | 5.507263 | generated | mp-864747 | Mg3Tl4Ho5 | 12 | 6 | 347.69 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.9751629829,
-0.0117721725,
-0.0090599097
],
[
-0.0118173184,
7.5470046997,
-0.1417372972
],
[
-0.0091612106,
... |
gen-mp-13863 | 12.274047 | 8.234175 | -0.141518 | generated | mp-13863 | Ba1Ge3O5 | 9 | 1 | 144.06 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.7821407318,
0.1575983018,
0.2076683193
],
[
0.1576051563,
5.2907209396,
0.3475241065
],
[
0.2076708525,
0.347... |
gen-mp-675589 | -4.087441 | -4.947999 | 1.163617 | generated | mp-675589 | Li6Cu4P2 | 12 | 8 | 151.51 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.9600896835,
-1.051715374,
0.0014759297
],
[
-1.0515677929,
3.9260261059,
0.0024736272
],
[
0.001347578,
0.002... |
gen-mp-1025340 | -5.327009 | -2.720134 | -4.078431 | generated | mp-1025340 | Cu2Se2 | 4 | 5 | 80.01 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.6887769699,
-0.0672948211,
-0.706946969
],
[
-0.0672932193,
3.6677503586,
-0.7213606834
],
[
-0.7069733143,
-... |
gen-mp-12406 | -5.475764 | -4.200943 | 3.198192 | generated | mp-12406 | U8S1 | 9 | 1 | 410.75 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.5017204285,
-0.8270856738,
0.73201859
],
[
-0.8270730972,
3.5748035908,
-0.2809604406
],
[
0.7320711017,
-0.2... |
gen-mp-13536 | -9.204692 | -5.234194 | 4.01439 | generated | mp-13536 | Tb2Zn6Ni3 | 11 | 1 | 186.3 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.9726278782,
-0.0009476651,
0.0045090164
],
[
-0.0008140827,
7.1299128532,
-1.853081584
],
[
0.0044938349,
-1.... |
gen-mp-4336 | -4.065043 | -3.699132 | 0.982296 | generated | mp-4336 | La3P5Pd2 | 10 | 8 | 221.14 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.0041518211,
-1.075755477,
-0.0155353323
],
[
-1.0757217407,
4.0222258568,
-0.0202584602
],
[
-0.0155078489,
-... |
gen-mp-1281 | -7.118829 | -1.295371 | 3.937772 | generated | mp-1281 | V5Tc1Ir4 | 10 | 99 | 141.47 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
2.8892412186,
0.0015482188,
0.0010027441
],
[
0.0015661337,
2.8762116432,
0.0038007339
],
[
0.0011324701,
0.003... |
gen-mp-15742 | 9.881405 | 9.112507 | 2.243916 | generated | mp-15742 | Cu1Nd1O2 | 4 | 123 | 54.35 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.4421582222,
0.011240962,
-0.0251712091
],
[
0.0111909769,
3.4422059059,
0.0024795833
],
[
-0.0251274742,
0.00... |
gen-mp-1217142 | 1.224679 | 2.021444 | 2.410087 | generated | mp-1217142 | Ti2N2C1 | 5 | 8 | 50.52 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.2377567291,
0.8632363081,
-0.0081482157
],
[
0.8631973267,
3.2133939266,
0.012612558
],
[
-0.0083241872,
0.01... |
gen-mp-27549 | -5.073066 | -6.454232 | 0.917682 | generated | mp-27549 | K3Bi1 | 4 | 44 | 169.29 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.849919796,
1.4639979601,
1.4687147141
],
[
1.4640260935,
5.8549904823,
1.454731822
],
[
1.4687466621,
1.45474... |
gen-mp-1205920 | -7.198589 | -3.848017 | 5.048227 | generated | mp-1205920 | Er2Al3U2Co1Ge2 | 10 | 1 | 216.35 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.3064346313,
0.0405605547,
0.0351542272
],
[
0.0406011827,
7.1008672714,
-0.0200986229
],
[
0.0351344533,
-0.0... |
gen-mp-867238 | -6.56697 | -6.861116 | 3.148152 | generated | mp-867238 | Sm3Pb9 | 12 | 1 | 386.66 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.8731894493,
-1.2858886719,
-0.0091059618
],
[
-1.2859222889,
4.8792943954,
-0.0021141954
],
[
-0.0091476962,
... |
gen-mp-1178932 | -5.857839 | -3.268289 | -1.629671 | generated | mp-1178932 | Te15Th1 | 16 | 1 | 528.38 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.5762810707,
1.0730979443,
0.8832907677
],
[
1.073069334,
5.0303421021,
0.8679986
],
[
0.8833284378,
0.8679525... |
gen-mp-1207268 | -5.967278 | -4.600925 | 2.825242 | generated | mp-1207268 | Pu4Pb3Np1Ce1O2 | 11 | 8 | 256.66 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.4929504395,
-0.0010808222,
-0.6172241569
],
[
-0.0009707594,
4.4798960686,
0.0266776718
],
[
-0.6171020269,
0... |
gen-mp-1187618 | -8.391482 | -5.657556 | 3.924943 | generated | mp-1187618 | Yb2Nd6Pd8 | 16 | 6 | 446.32 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.3524479866,
-0.0034717578,
0.0015613092
],
[
-0.0034172735,
7.6967668533,
-0.0131304357
],
[
0.0016632359,
-0... |
gen-mp-1104605 | -8.505877 | -6.374439 | 6.632981 | generated | mp-1104605 | Nd6Ir3 | 9 | 1 | 242.69 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.6861071587,
-0.0056646029,
-0.0066416841
],
[
-0.0056604957,
7.4828391075,
-2.0236377716
],
[
-0.006542657,
-... |
gen-mp-1183455 | -5.5987 | -7.378649 | 4.966071 | generated | mp-1183455 | Pm3Ca3 | 6 | 8 | 221.77 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.6374950409,
-0.9631907344,
0.0057019847
],
[
-0.9631764293,
3.637393713,
-0.0202409923
],
[
0.0056751985,
-0.... |
gen-mp-865195 | -8.141227 | -3.445206 | 4.460209 | generated | mp-865195 | Tm2Al2Ga3Rh4Sn1 | 12 | 1 | 209.09 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.2826123238,
0.0082241632,
-0.0089841187
],
[
0.0080659101,
6.6042776108,
0.0027619274
],
[
-0.0090318322,
0.0... |
gen-mp-1222863 | 12.285702 | 9.486999 | 1.89172 | generated | mp-1222863 | Pa1O7Ti2Th2 | 12 | 6 | 174.1 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.7176673412,
0.0088573331,
0.0123688439
],
[
0.0088546621,
3.7393732071,
-0.0169576574
],
[
0.0123474076,
-0.0... |
gen-mp-1221345 | 13.660352 | 8.205258 | -2.492912 | generated | mp-1221345 | Na1P1O2 | 4 | 6 | 52.19 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
2.9357733727,
0.0003789571,
-0.0022282773
],
[
0.000338655,
3.6149706841,
-0.1257915944
],
[
-0.0021762999,
-0.... |
gen-mp-1207674 | -5.332329 | -3.388033 | 1.043818 | generated | mp-1207674 | Tm2P2Pd2 | 6 | 8 | 110.05 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.0387144089,
-1.0843451023,
-0.0109185707
],
[
-1.0844045877,
4.0452475548,
0.0009586106
],
[
-0.0109513085,
0... |
gen-mp-975176 | -4.535649 | -6.648157 | 1.427753 | generated | mp-975176 | Rb2Au2 | 4 | 5 | 153.02 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.6703505516,
1.4351627827,
1.4119894505
],
[
1.4352027178,
5.6487913132,
1.4053248167
],
[
1.4119821787,
1.405... |
gen-mp-27957 | 10.640065 | 8.891053 | 1.591749 | generated | mp-27957 | Ba8O8Pa1Ni1 | 18 | 6 | 386.71 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.7301216125,
0.0008836013,
0.002235054
],
[
0.0007841859,
3.8363773823,
-0.2303551137
],
[
0.0022010067,
-0.23... |
gen-mp-865921 | -7.935605 | -2.231827 | 4.149772 | generated | mp-865921 | Al2Ir2 | 4 | 221 | 54.99 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.0215196609,
0.9903360009,
1.015527606
],
[
0.9902613759,
4.0304913521,
1.0360189676
],
[
1.0155858994,
1.0359... |
gen-mp-1212090 | -7.523585 | -4.190595 | 2.588117 | generated | mp-1212090 | Sn2Ni1 | 3 | 225 | 62.37 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.2896475792,
-1.2071318626,
-0.1894030422
],
[
-1.2071620226,
4.1018381119,
-1.2035006285
],
[
-0.1893825829,
... |
gen-mp-30840 | -8.220432 | -4.340544 | 2.31637 | generated | mp-30840 | Pd6Ti1Pu1 | 8 | 187 | 131.95 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.6734786034,
0.0154164303,
-0.014474405
],
[
0.0153211597,
5.5161824226,
-1.4727113247
],
[
-0.0145123405,
-1.... |
gen-mp-1068244 | -7.924276 | -6.22522 | 6.3764 | generated | mp-1068244 | Er5Ni2Pu1 | 8 | 1 | 198.57 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.5262041092,
-0.6609833241,
0.0063295313
],
[
-0.6609869003,
6.1352825165,
0.0705426633
],
[
0.0063544805,
0.0... |
gen-mp-22937 | -1.090838 | 2.600054 | -2.70394 | generated | mp-22937 | I6Na6 | 12 | 8 | 427.55 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.1127576828,
1.3525896072,
0.5748304725
],
[
1.3524435759,
5.0994939804,
0.5916755199
],
[
0.5747631788,
0.591... |
gen-mp-775774 | 6.205023 | 9.082342 | -1.343947 | generated | mp-775774 | Bi2O4 | 6 | 1 | 93.96 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.5227992535,
0.0075964071,
-0.0043264469
],
[
0.0076895356,
5.1771526337,
0.0095039681
],
[
-0.004433183,
0.00... |
gen-mp-974634 | -7.98621 | -6.226428 | 1.955227 | generated | mp-974634 | Ag3Pd1 | 4 | 44 | 68.08 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.3241267204,
1.0983783007,
1.0888336897
],
[
1.0983854532,
4.3225193024,
1.081905365
],
[
1.0888171196,
1.0819... |
gen-mp-1216545 | -6.613957 | -6.958583 | 3.608818 | generated | mp-1216545 | Pa3Th1Bi3Tl11 | 18 | 1 | 491.97 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
8.4381008148,
-0.7484942675,
-1.7532606125
],
[
-0.7484400868,
8.28221035,
-2.3244605064
],
[
-1.7531715631,
-2... |
gen-mp-1079427 | 8.188031 | 10.490275 | -0.305333 | generated | mp-1079427 | Cu6O4Na2 | 12 | 8 | 148.68 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.1086411476,
0.3508515358,
0.4510548413
],
[
0.3507940173,
8.04504776,
1.9026066065
],
[
0.4510476589,
1.90260... |
gen-mp-1106144 | -6.079618 | -6.018105 | 5.914815 | generated | mp-1106144 | Ce3Th1 | 4 | 160 | 96.94 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.8713378906,
1.2271988392,
1.1984478235
],
[
1.2271959782,
4.8495750427,
1.2036093473
],
[
1.1984136105,
1.203... |
gen-mp-1189623 | -8.956166 | -1.550522 | 3.994497 | generated | mp-1189623 | Ir3Mg1B2 | 6 | 99 | 72.91 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
2.9456524849,
-0.003599843,
0.0211253259
],
[
-0.0036357539,
2.9345169067,
0.0096654948
],
[
0.0211214367,
0.00... |
gen-mp-1207424 | -8.971978 | -6.560205 | 2.784855 | generated | mp-1207424 | Pa1In1Au2 | 4 | 160 | 89.14 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.7311310768,
1.1894831657,
1.1794102192
],
[
1.1894083023,
4.7314949036,
1.1836280823
],
[
1.1794222593,
1.183... |
gen-mp-866104 | -7.96826 | -7.63285 | 3.576825 | generated | mp-866104 | La2Cd8Ca1Pm1Hg4 | 16 | 1 | 419.37 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.9972920418,
0.0360456146,
-0.0132440422
],
[
0.0360445939,
7.3818659782,
0.036474824
],
[
-0.0132856974,
0.03... |
gen-mp-1078518 | 9.422547 | 9.818131 | 0.45726 | generated | mp-1078518 | Ir3O6Sr3 | 12 | 99 | 183.21 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.9424934387,
0.0144499335,
0.0075729634
],
[
0.0144771319,
3.9715740681,
0.0069178096
],
[
0.0074370126,
0.006... |
gen-mp-1215183 | -6.073307 | -4.021531 | 4.239568 | generated | mp-1215183 | Al8U8 | 16 | 1 | 386.5 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.6180047989,
-0.0676768869,
-0.0114523191
],
[
-0.0675176904,
7.3565983772,
-0.0165566802
],
[
-0.0114960894,
... |
gen-mp-1065609 | -5.981321 | -3.826491 | -1.796482 | generated | mp-1065609 | Te4Tl2Gd2 | 8 | 8 | 291.87 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.2784404755,
-1.1422053576,
-0.0183592513
],
[
-1.1422169209,
4.2919259071,
0.0112455497
],
[
-0.0184569415,
0... |
gen-mp-1080771 | 2.501346 | 2.817773 | -4.476782 | generated | mp-1080771 | Cl5 | 5 | 121 | 147.01 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.2088766098,
-0.1735692322,
-1.2636919022
],
[
-0.1735837013,
5.2056341171,
-1.2930283546
],
[
-1.2637649775,
... |
gen-mp-21037 | -3.250685 | -3.924451 | -1.8836 | generated | mp-21037 | S5U7Fe1 | 13 | 8 | 269.7 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.6552736759,
-0.6497950554,
0.0086251646
],
[
-0.6498669982,
6.9560394287,
-0.0349891335
],
[
0.0086677317,
-0... |
gen-mp-1222020 | -5.186264 | -3.06265 | -4.125365 | generated | mp-1222020 | Cu4Lu1Mn1Ge1Se3 | 10 | 8 | 181.22 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.9096927643,
-1.0417217016,
0.0270046033
],
[
-1.0416800976,
3.9138774872,
-0.0012169753
],
[
0.0270986464,
-0... |
gen-mp-998749 | -0.031636 | 0.705775 | -3.275088 | generated | mp-998749 | K2Br9Ca1Th5N1 | 18 | 1 | 586.2 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
6.8090062141,
-0.711288929,
-1.6713900566
],
[
-0.7114023566,
9.8621320724,
-1.6711859703
],
[
-1.6715099812,
-... |
gen-mp-21050 | -5.194072 | -3.539733 | 3.518069 | generated | mp-21050 | U8 | 8 | 28 | 140.96 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.4118871689,
0.0084329238,
-0.002669638
],
[
0.0084465379,
5.0933690071,
-0.0033586225
],
[
-0.0027155038,
-0.... |
gen-mp-1206381 | -4.954722 | -4.045851 | 5.932415 | generated | mp-1206381 | Nd2Ni2Si2 | 6 | 8 | 117.67 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.9969089031,
-0.0473996215,
-0.7077565789
],
[
-0.0474149697,
3.9777400494,
-0.7072525024
],
[
-0.7078543901,
... |
gen-mp-8267 | -2.44828 | -0.472377 | -5.258554 | generated | mp-8267 | K2P3S7 | 12 | 1 | 317.65 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
6.7513723373,
-0.9970422387,
0.3380865753
],
[
-0.9969560504,
7.3295464516,
-1.6688052416
],
[
0.338005811,
-1.... |
gen-mp-1186427 | -8.335544 | -4.210519 | 2.191679 | generated | mp-1186427 | Pd9 | 9 | 2 | 148.36 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.5982260704,
1.4131658077,
1.4040700197
],
[
1.4131608009,
5.6167345047,
1.4091101885
],
[
1.4040386677,
1.409... |
gen-mp-20263 | -7.083105 | -7.222922 | 5.845317 | generated | mp-20263 | Pm6Ca2Tc1In5 | 14 | 1 | 460.17 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
8.098156929,
-1.6375136375,
-1.7558920383
],
[
-1.6375112534,
8.0050134659,
-1.438849926
],
[
-1.7558681965,
-1... |
gen-mp-1104276 | -9.36398 | -1.440429 | 2.989071 | generated | mp-1104276 | Er1Th1Ni6 | 8 | 6 | 138.85 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.866755724,
-0.0060076849,
0.0066737616
],
[
-0.0059517203,
5.0315155983,
-0.0005870073
],
[
0.0066167666,
-0.... |
gen-mp-1001787 | -8.62933 | -2.863749 | 3.756725 | generated | mp-1001787 | Tc1Li3Rh6 | 10 | 8 | 149.39 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.9994425774,
1.2658375502,
1.0480666161
],
[
1.2658193111,
4.9809336662,
1.0493326187
],
[
1.0479979515,
1.049... |
gen-mp-1184089 | -8.720073 | -6.455964 | 5.398232 | generated | mp-1184089 | Dy6Au4 | 10 | 6 | 255.02 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.7711496353,
0.0047804061,
0.0023888955
],
[
0.0048232377,
8.2272233963,
-0.0119671468
],
[
0.0023735084,
-0.0... |
gen-mp-1227124 | -3.998429 | -2.555785 | -3.617618 | generated | mp-1227124 | P1Se2Mg1 | 4 | 1 | 103.76 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.7486743927,
-1.1852947474,
-1.4668177366
],
[
-1.1852990389,
5.1580758095,
-0.4739956558
],
[
-1.4667915106,
... |
gen-mp-21138 | 10.76543 | 10.410496 | -2.951638 | generated | mp-21138 | O5Pb2Mo1 | 8 | 1 | 161.25 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.3159441948,
0.1456113011,
-0.269315958
],
[
0.1455024332,
5.3436102867,
1.4274351597
],
[
-0.269323647,
1.427... |
gen-mp-1079582 | -6.456303 | -0.995567 | 3.955199 | generated | mp-1079582 | Tc2V1Ir1 | 4 | 8 | 57.68 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.0907669067,
1.0345733166,
1.0119200945
],
[
1.0345212221,
4.0927314758,
1.0557928085
],
[
1.0119768381,
1.055... |
gen-mp-761128 | 12.483285 | 8.906332 | 2.77576 | generated | mp-761128 | Nb4Pu2O2 | 8 | 1 | 153.12 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.0265231133,
-0.1129271761,
-1.2193461657
],
[
-0.1129506081,
5.6032958031,
-1.0680823326
],
[
-1.2194646597,
... |
gen-mp-1106100 | -6.061028 | -6.174888 | 3.87396 | generated | mp-1106100 | Ge2Li1Eu1 | 4 | 160 | 87.35 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.0505862236,
1.0432646275,
0.8167399764
],
[
1.0433324575,
4.0737528801,
0.8265239
],
[
0.8166701198,
0.826503... |
gen-mp-1084759 | -7.803093 | -4.349059 | 3.20476 | generated | mp-1084759 | Rh2Sn4Tb2 | 8 | 6 | 176.47 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.2959909439,
-0.9800397754,
0.0019741794
],
[
-0.9799916148,
5.747944355,
0.0061596506
],
[
0.0019260016,
0.00... |
gen-mp-1176629 | 8.344824 | 1.561012 | -0.31194 | generated | mp-1176629 | F3Li2 | 5 | 8 | 69.78 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.2945461273,
-0.8323400617,
-0.0996966138
],
[
-0.8323179483,
3.5387275219,
-0.6400797367
],
[
-0.0996992439,
... |
gen-mp-849292 | 15.158214 | 12.271367 | -1.028206 | generated | mp-849292 | V6F8O6 | 20 | 1 | 238.76 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.0026226044,
0.9302885532,
0.7494109273
],
[
0.9304664135,
5.1698064804,
0.9200543761
],
[
0.7493525743,
0.919... |
gen-mp-1553 | -9.25121 | -1.293035 | 2.800048 | generated | mp-1553 | Ni5Ho1 | 6 | 8 | 76.76 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.4886360168,
1.1095411777,
1.1225219965
],
[
1.1095833778,
4.4997243881,
1.1136090755
],
[
1.1224519014,
1.113... |
gen-mp-1113404 | -0.360121 | 0.956144 | -3.777668 | generated | mp-1113404 | Rb1Br3Ac1 | 5 | 8 | 193.96 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.8354034424,
-0.0022734453,
0.0042245113
],
[
-0.0022219652,
5.6973304749,
-0.0002241484
],
[
0.0041552768,
-0... |
gen-mp-1027687 | -5.38748 | 1.193935 | -4.44101 | generated | mp-1027687 | S3Mo3Se4 | 10 | 156 | 291.29 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.1334140301,
-0.824839294,
-0.0133973612
],
[
-0.8247933984,
3.1140239239,
-0.0045574973
],
[
-0.0134067247,
-... |
gen-mp-560558 | -3.670037 | -1.542858 | -5.310721 | generated | mp-560558 | Cs6S9Cd2Pd1Au2 | 20 | 1 | 652.53 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.3166146278,
0.7449433804,
0.3771145344
],
[
0.744933486,
8.3601093292,
0.2160985619
],
[
0.3771080077,
0.2161... |
gen-mp-1208832 | -4.010081 | -4.264961 | -3.64322 | generated | mp-1208832 | Se10Sm4Lu1Pm1Ca1Mg1 | 18 | 8 | 434.07 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.0118660927,
-0.6612139344,
-0.0249554403
],
[
-0.6612748504,
8.7942028046,
-0.0090832384
],
[
-0.0249797292,
... |
gen-mp-557320 | 1.315596 | 2.28127 | -4.474628 | generated | mp-557320 | Re1K2Cl6Tc1 | 10 | 1 | 242.85 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
6.5824561119,
1.5515365601,
1.5662910938
],
[
1.5515486002,
6.5525765419,
1.609726429
],
[
1.5662405491,
1.6097... |
gen-mp-1115 | -4.592828 | -2.288648 | -3.398186 | generated | mp-1115 | Se5Pt4Zn1 | 10 | 8 | 202.35 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.8610770702,
-0.018630879,
-0.382078141
],
[
-0.0186652467,
3.6583843231,
-0.3063846231
],
[
-0.382122308,
-0.... |
gen-mp-11753 | -7.522415 | -6.466616 | 6.483746 | generated | mp-11753 | Lu3Te1 | 4 | 225 | 112.74 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.1000404358,
1.2762842178,
1.2558763027
],
[
1.276255846,
5.10698843,
1.2662945986
],
[
1.2559037209,
1.266321... |
gen-mp-1078878 | -8.334991 | -6.036904 | 5.576599 | generated | mp-1078878 | Ho5In6Eu1Ni4 | 16 | 1 | 341.21 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.5851943493,
-0.005387017,
0.0245258994
],
[
-0.0054797335,
7.859539032,
-0.0363259874
],
[
0.0245887861,
-0.0... |
gen-mp-1207079 | 3.409401 | -0.770043 | -2.34397 | generated | mp-1207079 | Sr1H7Pd2 | 10 | 6 | 93.57 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.6952214241,
0.0045936056,
-0.0031998667
],
[
0.0045804451,
5.2799863815,
-1.5373504162
],
[
-0.003154455,
-1.... |
gen-mp-979041 | -1.291983 | 0.839754 | 1.518991 | generated | mp-979041 | Al3C3 | 6 | 8 | 70.36 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.0848755836,
0.8083154559,
0.4237623513
],
[
0.808517158,
3.0759313107,
0.4300619662
],
[
0.4238326252,
0.4301... |
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