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-762282 | 11.764926 | 12.446164 | 0.040701 | generated | mp-762282 | Cr5Li3O8 | 16 | 156 | 171.45 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.3814554214,
-0.9472000003,
-0.0020722158
],
[
-0.9472110868,
3.3931188583,
-0.002931481
],
[
-0.0020627989,
-... |
gen-mp-1188666 | -5.608628 | -5.005252 | 0.715656 | generated | mp-1188666 | Cu2Sb2Sm1 | 5 | 8 | 118.35 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.2968559265,
-1.160681963,
0.0106781963
],
[
-1.1606123447,
4.2793569565,
-0.0136386221
],
[
0.0105981845,
-0.... |
gen-mp-1104686 | -3.933271 | -1.752384 | -5.057509 | generated | mp-1104686 | Au8Cs5S7 | 20 | 1 | 699.3 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
7.1561603546,
0.7617942095,
0.452246964
],
[
0.7617948651,
7.3294897079,
0.1590314806
],
[
0.452183485,
0.15902... |
gen-mp-1211722 | -7.110861 | -5.752318 | 5.601886 | generated | mp-1211722 | La6Ge4 | 10 | 8 | 333.71 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.4917941093,
-0.1087758467,
-0.736209631
],
[
-0.1088399068,
7.9300737381,
-1.9440165758
],
[
-0.7362391353,
-... |
gen-mp-1220000 | -7.351087 | -5.966451 | 4.242913 | generated | mp-1220000 | Sn6Pr4 | 10 | 8 | 281.9 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.7504076958,
0.0031747031,
-0.6580169797
],
[
0.0031525991,
4.6597518921,
0.0048728185
],
[
-0.6580327153,
0.0... |
gen-mp-1183463 | -6.116343 | -7.063933 | 4.136645 | generated | mp-1183463 | Zn4Ca2Pm1Np1 | 8 | 8 | 252.34 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.5166969299,
-1.4551360607,
0.0094713541
],
[
-1.4550954103,
5.4967260361,
0.0158012994
],
[
0.0093562398,
0.0... |
gen-mp-1185615 | -8.60347 | -1.980943 | 2.773516 | generated | mp-1185615 | Ni4Zn4 | 8 | 129 | 96.88 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
2.6985652447,
-0.0122108869,
-0.0110765127
],
[
-0.0121737234,
2.6859526634,
-0.0167985819
],
[
-0.0109159946,
... |
gen-mp-753173 | 11.447124 | 8.164714 | 2.012763 | generated | mp-753173 | I3Ho4O3 | 10 | 8 | 227.18 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.6743295193,
-0.9727523327,
-0.00164878
],
[
-0.9727185965,
3.6733188629,
-0.0082773566
],
[
-0.0014645336,
-0... |
gen-mp-977441 | -7.587148 | -4.542274 | 4.804496 | generated | mp-977441 | Rh5Pa6 | 11 | 8 | 224.25 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.6353139877,
-0.1251575053,
-0.9438890219
],
[
-0.1252060831,
6.8549084663,
-1.4220356941
],
[
-0.943964541,
-... |
gen-mp-10901 | -8.423347 | -4.430288 | 2.794616 | generated | mp-10901 | Pd2Al2 | 4 | 8 | 64.72 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.2403330803,
-0.8737748861,
0.0172315985
],
[
-0.873811245,
3.2388527393,
-0.0299996808
],
[
0.0172023922,
-0.... |
gen-mp-27838 | -5.442811 | -6.498057 | 0.883688 | generated | mp-27838 | Na11Bi4 | 15 | 1 | 525.21 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.4571099281,
-1.4814721346,
-0.005712572
],
[
-1.481477499,
5.4568104744,
0.0014222292
],
[
-0.0057552862,
0.0... |
gen-mp-13520 | -6.7905 | -6.950161 | 3.003762 | generated | mp-13520 | Zn6Na4 | 10 | 1 | 228.74 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.2700810432,
-0.0070188688,
-0.0163318757
],
[
-0.0070719775,
6.0455131531,
-1.2108746767
],
[
-0.0163894016,
... |
gen-mp-1105802 | -7.296974 | -4.860744 | 3.580199 | generated | mp-1105802 | Ca2Ge4Pt2 | 8 | 8 | 166.03 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.1918048859,
-0.0125151798,
-0.6604886055
],
[
-0.0125811659,
4.296681881,
-0.0076252841
],
[
-0.6605418921,
-... |
gen-mp-1018051 | -4.097232 | -3.049218 | -1.360714 | generated | mp-1018051 | Pu1U4Cu1S4 | 10 | 1 | 212.34 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.5821485519,
-0.7622894645,
-0.0159419347
],
[
-0.7622783184,
5.2296104431,
-0.3076480329
],
[
-0.0160719696,
... |
gen-mp-1215290 | -6.696716 | -1.117931 | 4.89778 | generated | mp-1215290 | Pa2Fe2 | 4 | 2 | 76.38 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.5793888569,
-0.4894200563,
-0.704274714
],
[
-0.489374131,
3.5462298393,
0.6948621869
],
[
-0.7042812109,
0.6... |
gen-mp-1224218 | -5.101772 | -3.880514 | 2.27674 | generated | mp-1224218 | Hf1I2Se5U8Cu1Li1 | 18 | 6 | 595.9 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.6072859764,
-0.0037547064,
-0.0704629123
],
[
-0.0037837611,
5.842546463,
0.0184284747
],
[
-0.0705742761,
0.... |
gen-mp-972971 | -7.243157 | -7.354185 | 4.980284 | generated | mp-972971 | La6Tl6Hg2 | 14 | 1 | 457.25 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
8.1462974548,
-1.6801717281,
-1.5468356609
],
[
-1.6801855564,
8.0795459747,
-1.6782357693
],
[
-1.5468821526,
... |
gen-mp-1205803 | 11.325274 | 9.047955 | 2.404087 | generated | mp-1205803 | Ba3O7Er2U1Ta1 | 14 | 6 | 267.93 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.2013568878,
-0.0011908435,
0.0053475406
],
[
-0.0012608743,
4.1957793236,
0.012773687
],
[
0.0054186992,
0.01... |
gen-mp-1186235 | -8.376835 | -6.554458 | 6.455211 | generated | mp-1186235 | Nd3Ru1Ag2 | 6 | 12 | 148.88 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.0340662003,
-1.3402973413,
-0.005180914
],
[
-1.3402539492,
5.0264439583,
0.0028974013
],
[
-0.0051925136,
0.... |
gen-mp-1206251 | -6.778722 | -4.792278 | 5.270623 | generated | mp-1206251 | Th1Ge3 | 4 | 8 | 89.93 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.261993885,
-0.1321831197,
-1.0167661905
],
[
-0.1322010458,
4.3327775002,
-1.0308908224
],
[
-1.0167994499,
-... |
gen-mp-633158 | 11.902105 | 5.338823 | -3.702692 | generated | mp-633158 | H6As2O7Na1 | 16 | 1 | 175.11 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.3535695076,
-0.6436523199,
-1.2383812666
],
[
-0.6437141299,
5.5880908966,
-1.5123544931
],
[
-1.2384265661,
... |
gen-mp-1078349 | -5.966141 | -5.525981 | 0.995668 | generated | mp-1078349 | La4N2Bi4 | 10 | 6 | 343.48 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.5608282089,
-0.0014947908,
-0.0015940402
],
[
-0.0015073059,
4.5969796181,
0.0046715965
],
[
-0.0016565953,
0... |
gen-mp-2847 | -3.637537 | 1.846501 | 2.967181 | generated | mp-2847 | Th1B6 | 7 | 5 | 68.04 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.0547385216,
-0.0102735367,
-0.0009436756
],
[
-0.0102953054,
4.060356617,
0.0015327197
],
[
-0.0009553619,
0.... |
gen-mp-1952 | -6.146082 | -4.7063 | 5.131095 | generated | mp-1952 | Ac1Al2U1 | 4 | 160 | 108.95 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.0175628662,
1.2823363543,
1.2384300232
],
[
1.2822533846,
5.0849633217,
1.2521355152
],
[
1.2384871244,
1.252... |
gen-mp-1221282 | 11.786098 | 8.63347 | 1.933079 | generated | mp-1221282 | U4O6 | 10 | 1 | 142.34 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.844022274,
0.0275604371,
-0.7398785949
],
[
0.0275204107,
5.6746401787,
0.0196824037
],
[
-0.7398923039,
0.01... |
gen-mp-1206406 | -6.341415 | -2.650026 | 1.00113 | generated | mp-1206406 | As7K2Ir7 | 16 | 8 | 337.34 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.8254544735,
-1.0370471478,
-0.010151986
],
[
-1.0370957851,
3.852455616,
-0.0095204469
],
[
-0.0101400372,
-0... |
gen-mp-1189342 | -6.021161 | -4.779458 | 3.958282 | generated | mp-1189342 | Zr4Th1Er1Pb3 | 9 | 6 | 248.09 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.1848120689,
0.0030025253,
-0.0116594275
],
[
0.0030320892,
8.003660202,
-2.2117173672
],
[
-0.0117029296,
-2.... |
gen-mp-1222082 | -7.017887 | -10.42592 | 5.351671 | generated | mp-1222082 | Mg16Eu1In2Cd1 | 20 | 6 | 485.93 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.7571072578,
-0.0240409188,
-0.0086121894
],
[
-0.0240315124,
4.7393574715,
-0.0141917523
],
[
-0.0085025979,
... |
gen-mp-1218753 | 11.217741 | 10.282141 | 1.039433 | generated | mp-1218753 | Mn1Sr1O2 | 4 | 8 | 55.68 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.2325778008,
0.8293159008,
0.5895994902
],
[
0.8293992281,
3.2375254631,
0.5771458745
],
[
0.5895830989,
0.577... |
gen-mp-862260 | -7.693788 | -5.807617 | 5.0277 | generated | mp-862260 | Sc4Pa2Zn4 | 10 | 6 | 211.73 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.2080111504,
0.0038612506,
-0.0060290084
],
[
0.0038132032,
8.1355648041,
-0.0143725164
],
[
-0.0060494845,
-0... |
gen-mp-756996 | 10.238362 | 2.676526 | 1.543685 | generated | mp-756996 | F6V2 | 8 | 5 | 109.69 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.9228076935,
1.2227782011,
1.1559923887
],
[
1.222781539,
4.9515070915,
1.2027952671
],
[
1.1559141874,
1.2027... |
gen-mp-9033 | -6.778808 | -2.435486 | 4.463539 | generated | mp-9033 | Tc1Np3Os2 | 6 | 1 | 118.21 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.0726613998,
1.0308009386,
0.9905816317
],
[
1.0308908224,
5.1055750847,
1.0026717186
],
[
0.9906225204,
1.002... |
gen-mp-766142 | 12.172718 | 10.620088 | 0.274872 | generated | mp-766142 | Li1Fe6O5 | 12 | 99 | 122.76 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.1184411049,
-0.0076894807,
-0.0169876404
],
[
-0.0076984828,
3.0901806355,
0.0176908839
],
[
-0.0168555714,
0... |
gen-mp-644225 | 3.275248 | -0.707129 | -2.326967 | generated | mp-644225 | H3Sr2 | 5 | 38 | 96.72 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.5861082077,
-0.0056998394,
0.0044520595
],
[
-0.0057151988,
4.5866274834,
0.0039139283
],
[
0.0044884733,
0.0... |
gen-mp-18732 | 12.501856 | 10.383449 | 1.324438 | generated | mp-18732 | Ti1O2Ni1 | 4 | 166 | 44.51 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
2.8072898388,
0.7423554659,
0.4430202544
],
[
0.7423967123,
2.8165259361,
0.4486050904
],
[
0.4430427551,
0.448... |
gen-mp-27396 | 1.783521 | 2.566252 | -4.882098 | generated | mp-27396 | Cl8Ni3 | 11 | 1 | 220.17 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.543150425,
-0.0349065699,
-0.0004105533
],
[
-0.0351245701,
6.5365180969,
-1.7708548307
],
[
-0.0003948766,
-... |
gen-mp-6178 | 8.500745 | 2.867425 | 1.792008 | generated | mp-6178 | N2Th6F4 | 12 | 1 | 285.77 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.8068919182,
-0.073313579,
0.034638755
],
[
-0.0733535737,
5.8031897545,
-1.2120708227
],
[
0.0345786773,
-1.2... |
gen-mp-1078182 | 10.211141 | 7.545308 | 2.331981 | generated | mp-1078182 | Se3Fe4O2Nd1U1 | 11 | 1 | 167.34 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.930791378,
-0.0077757686,
-0.0245550293
],
[
-0.0077275857,
4.0938439369,
-0.0037104515
],
[
-0.0245577078,
-... |
gen-mp-756537 | 6.271498 | 13.438716 | -1.305167 | generated | mp-756537 | O2Ni1Li1 | 4 | 160 | 35.66 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
2.7896203995,
0.7353354692,
0.4736609459
],
[
0.7354817986,
2.7863948345,
0.5097410679
],
[
0.4735994339,
0.509... |
gen-mp-29652 | -4.625962 | -1.360671 | -2.71207 | generated | mp-29652 | Se6Ta3U1 | 10 | 6 | 226.9 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.4881942272,
0.0012406111,
0.0055132573
],
[
0.0013032472,
9.232670784,
-2.5928061008
],
[
0.0055342913,
-2.59... |
gen-mp-1112095 | -1.175639 | 2.847075 | -3.006954 | generated | mp-1112095 | Ag3I8In1Tl3K1 | 16 | 8 | 648.87 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.6901483536,
1.2526065111,
0.2931704521
],
[
1.2525399923,
4.6773953438,
0.3039596975
],
[
0.2931458056,
0.304... |
gen-mp-1185901 | -7.56991 | -6.155081 | 4.377707 | generated | mp-1185901 | In6Pa1Mg1 | 8 | 8 | 200.64 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.1633505821,
-0.0164592303,
0.007172538
],
[
-0.0163320899,
6.4588322639,
-1.7375239134
],
[
0.0071929931,
-1.... |
gen-mp-1104307 | -5.415417 | -4.697375 | 0.944153 | generated | mp-1104307 | La3Sb3Th2Rh1P1 | 10 | 8 | 316.81 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.4938101768,
-0.0032989741,
-0.5086067915
],
[
-0.0033091265,
4.4922862053,
-0.500084877
],
[
-0.5085433722,
-... |
gen-mp-758558 | 10.04227 | 8.464419 | -0.240319 | generated | mp-758558 | Sb8N6Th1O4Eu1 | 20 | 1 | 425.29 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.1326165199,
-0.0084409844,
-0.1173323393
],
[
-0.0084696542,
4.2008733749,
-0.0445175469
],
[
-0.1173710525,
... |
gen-mp-8638 | -6.089427 | -0.912908 | 4.094754 | generated | mp-8638 | Tc2 | 2 | 194 | 28.24 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
2.6308677197,
-0.6963554621,
-0.0054584751
],
[
-0.6962953806,
2.6561334133,
0.011390063
],
[
-0.0055341804,
0.... |
gen-mp-1246909 | -2.513919 | -3.063494 | -5.490574 | generated | mp-1246909 | Y3S4N2Th1 | 10 | 8 | 242.66 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.953533411,
-1.0687664747,
-0.0190182813
],
[
-1.0687519312,
3.9351739883,
-0.0135836657
],
[
-0.0190274417,
-... |
gen-mp-566257 | 12.631848 | 12.352979 | -0.414892 | generated | mp-566257 | Li3O5Mo1V1 | 10 | 1 | 111.25 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
2.9825489521,
-0.12803711,
-0.4502861798
],
[
-0.1280642003,
5.4782691002,
-2.0302197933
],
[
-0.4504701793,
-2... |
gen-mp-3474 | 8.625717 | 10.064189 | 2.043504 | generated | mp-3474 | Th2Cu2O6 | 10 | 1 | 126.48 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.1713194847,
-0.155849129,
-1.4346276522
],
[
-0.1558454335,
5.54266119,
-1.2941032648
],
[
-1.434561491,
-1.2... |
gen-mp-1227408 | -5.455431 | -3.950695 | -0.795133 | generated | mp-1227408 | Lu3Te8U3 | 14 | 1 | 677.09 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.6578350067,
1.2484351397,
0.0969583243
],
[
1.2485140562,
4.6974611282,
0.047129266
],
[
0.09695144,
0.047130... |
gen-mp-9068 | -3.487888 | -4.50569 | 0.786164 | generated | mp-9068 | K4Al1Na1P4 | 10 | 1 | 302.07 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
6.8149638176,
-0.2070454806,
-1.7085380554
],
[
-0.2070357054,
6.4662723541,
-1.5655502081
],
[
-1.7085421085,
... |
gen-mp-1103130 | -7.019747 | -4.644972 | 5.729258 | generated | mp-1103130 | Al5Yb2Ni1 | 8 | 8 | 155.92 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.4538035393,
-0.0116462084,
0.0020963084
],
[
-0.0116140936,
6.1524348259,
-1.7398453951
],
[
0.0021103348,
-1... |
gen-mp-1223493 | 11.777596 | 8.993461 | 2.263013 | generated | mp-1223493 | O2Pu2 | 4 | 160 | 59.25 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.3175685406,
0.8478385806,
0.5809903145
],
[
0.8479213119,
3.2949221134,
0.5531508327
],
[
0.5810784101,
0.553... |
gen-mp-1218015 | -7.193821 | -1.415262 | 3.230742 | generated | mp-1218015 | Ta3Ni5Co2 | 10 | 1 | 132.95 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.5813589096,
-1.2369194031,
0.1464742422
],
[
-1.2368915081,
4.6067605019,
-0.1459093839
],
[
0.1464398205,
-0... |
gen-mp-1218342 | -6.37265 | -6.902297 | 2.947859 | generated | mp-1218342 | Sr4Sn4Cd4 | 12 | 8 | 367.71 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.9227247238,
-1.3252587318,
-0.0104093207
],
[
-1.3252463341,
4.933151722,
-0.0083856434
],
[
-0.0103354603,
-... |
gen-mp-1023510 | -7.185312 | -10.850499 | 5.449505 | generated | mp-1023510 | Mg5 | 5 | 8 | 119.1 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.0999467373,
-0.5815628767,
-0.060602732
],
[
-0.5816104412,
5.3539638519,
-0.8608766198
],
[
-0.0604997948,
-... |
gen-mp-36577 | -2.482087 | -0.488655 | -5.000971 | generated | mp-36577 | S8As4 | 12 | 1 | 340.57 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.1756219864,
-1.4184274673,
-1.1555187702
],
[
-1.4184217453,
7.3053965569,
-0.8201337457
],
[
-1.1554965973,
... |
gen-mp-1187176 | -7.212738 | -6.995884 | 6.547508 | generated | mp-1187176 | Pm4Ca2Tc2 | 8 | 6 | 226.08 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.2084984779,
0.0179505683,
-0.0000603641
],
[
0.0179169942,
6.8306288719,
-1.8357388973
],
[
-0.0001433934,
-1... |
gen-mp-570957 | -5.814897 | -3.565643 | -1.72359 | generated | mp-570957 | Cs1Si1Te3 | 5 | 1 | 209.01 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.6296844482,
0.1961762905,
-0.1107628867
],
[
0.1961029172,
5.6402468681,
-1.707717061
],
[
-0.1108209118,
-1.... |
gen-mp-1221959 | 12.259555 | 12.287213 | -0.200259 | generated | mp-1221959 | Mg1V2Mn1Ti2O9 | 15 | 8 | 185.32 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.2021656036,
-0.5232210755,
-0.0282617025
],
[
-0.5232806206,
6.9656534195,
-0.5381069779
],
[
-0.0283992682,
... |
gen-mp-1078197 | 7.438829 | 0.194704 | -4.108994 | generated | mp-1078197 | H7C2Br2U1 | 12 | 1 | 202.57 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.5297932625,
-0.0118244402,
-0.0049371333
],
[
-0.0118658636,
6.677708149,
0.2964042425
],
[
-0.0049318448,
0.... |
gen-mp-754652 | 12.670415 | 12.258013 | -2.795297 | generated | mp-754652 | V5F4N2O8U1 | 20 | 6 | 250.81 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.741440773,
-0.0105961049,
-0.0066377046
],
[
-0.010635105,
6.4354496002,
-0.7254241705
],
[
-0.0066932794,
-0... |
gen-mp-1184839 | -8.549607 | -2.948511 | 3.849288 | generated | mp-1184839 | In1Ho1Rh2 | 4 | 8 | 73.57 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.4357056618,
1.1122846603,
1.1087892056
],
[
1.1122379303,
4.440870285,
1.1026124954
],
[
1.108730197,
1.10266... |
gen-mp-864924 | -7.933792 | -7.366605 | 4.68545 | generated | mp-864924 | Nd3Mg3Hg3 | 9 | 1 | 236.25 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.3302016258,
-0.0027124011,
-0.0060976883
],
[
-0.0026754537,
7.6710796356,
-2.0713455677
],
[
-0.0061622141,
... |
gen-mp-1215540 | -4.126054 | -5.058259 | 5.174453 | generated | mp-1215540 | Si3As1 | 4 | 8 | 81.9 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.693413496,
0.9586458206,
0.6907452345
],
[
0.9586942196,
3.698071003,
0.666518867
],
[
0.6906607151,
0.666467... |
gen-mp-1206749 | -5.610281 | -3.84795 | 0.476856 | generated | mp-1206749 | Ho3As4Ni2 | 9 | 8 | 175.22 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.9255933762,
-0.0951298401,
-0.7090286613
],
[
-0.0951745138,
6.4441213608,
-1.2866399288
],
[
-0.7091062069,
... |
gen-mp-1190062 | -5.265996 | -3.895318 | 5.787819 | generated | mp-1190062 | Ho1Re1Si5Er2U1 | 10 | 1 | 191.93 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.5209417343,
0.0034268196,
-0.0125519549
],
[
0.0034603672,
6.5541577339,
-0.0097278496
],
[
-0.0125269881,
-0... |
gen-mp-1103535 | -7.589541 | -2.875007 | 4.623235 | generated | mp-1103535 | U4In1Co7Ge5Ir1 | 18 | 6 | 328.22 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.3951363564,
0.0080883494,
0.0089892335
],
[
0.0080590965,
4.5716733932,
0.0020874839
],
[
0.0090628508,
0.002... |
gen-mp-29726 | -6.25345 | -2.623895 | 5.235706 | generated | mp-29726 | Si9Rh9Ba1Gd1 | 20 | 1 | 329.68 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
6.3505101204,
-0.7583088279,
-0.8642747402
],
[
-0.7583295107,
7.922015667,
-0.8405957222
],
[
-0.8642653823,
-... |
gen-mp-1523327 | 6.929428 | 8.441304 | -1.106502 | generated | mp-1523327 | O2Gd1 | 3 | 8 | 41.26 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.6648247242,
0.9388656616,
0.9049072862
],
[
0.9389047623,
3.6595549583,
0.9206064343
],
[
0.904922843,
0.9205... |
gen-mp-1095111 | -7.65693 | -5.430851 | 3.309993 | generated | mp-1095111 | Pr3Cu3Sn6 | 12 | 6 | 291.87 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.5079841614,
-0.0161646903,
-0.0021772869
],
[
-0.0162605755,
4.5437850952,
-0.0097657107
],
[
-0.0022012265,
... |
gen-mp-1217773 | -5.511428 | -1.764116 | 4.576823 | generated | mp-1217773 | Si3W1 | 4 | 8 | 56.25 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.7147603035,
-0.1126165688,
-0.9082776308
],
[
-0.112649262,
3.7265675068,
-0.8837301731
],
[
-0.9082587361,
-... |
gen-mp-1245745 | 0.728914 | 2.255179 | 2.0431 | generated | mp-1245745 | Mg1Tc1N2 | 4 | 6 | 39.21 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.0321166515,
-0.0026827597,
-0.0219533164
],
[
-0.0027690544,
3.0566196442,
-0.0033380799
],
[
-0.0219176002,
... |
gen-mp-1225565 | -6.977309 | -4.433338 | 5.607929 | generated | mp-1225565 | Dy2Ge2 | 4 | 11 | 91.25 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.9636018276,
-0.0188152734,
0.011573893
],
[
-0.018799359,
4.18531847,
-0.9276071787
],
[
0.011567275,
-0.9276... |
gen-mp-22950 | 1.513933 | 2.81125 | -5.851495 | generated | mp-22950 | Cs3Ni2Cl7 | 12 | 1 | 326.44 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.8729305267,
-0.0451841205,
-0.6342190504
],
[
-0.0451890044,
4.8964748383,
-0.6322010159
],
[
-0.6342222691,
... |
gen-mp-16060 | 8.447411 | 2.406096 | -1.128357 | generated | mp-16060 | F4 | 4 | 8 | 63.99 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.5578608513,
0.7965980172,
0.7942296863
],
[
0.7965309024,
4.4529094696,
0.3632152975
],
[
0.7941999435,
0.363... |
gen-mp-754539 | 11.578069 | 9.51775 | 0.216545 | generated | mp-754539 | V1Li1U2O8 | 12 | 1 | 197.04 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.9382791519,
-1.3379496336,
-0.9856562018
],
[
-1.3379042149,
6.3311319351,
-1.0986554623
],
[
-0.9856464267,
... |
gen-mp-1183677 | -7.42357 | -6.115168 | 4.955018 | generated | mp-1183677 | Ce1In3Th1 | 5 | 1 | 147.74 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.4174895287,
0.8828077316,
0.8798639178
],
[
0.8827930093,
6.1070342064,
1.4360907078
],
[
0.8798894286,
1.436... |
gen-mp-973606 | -8.412646 | -4.319123 | 4.59818 | generated | mp-973606 | Ir5Nd4Au3 | 12 | 6 | 259.99 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.4495849609,
-0.0286060721,
0.0001006399
],
[
-0.0285585672,
7.1800408363,
-0.0903927535
],
[
0.0001520237,
-0... |
gen-mp-1187880 | -7.073024 | -6.824502 | 7.164129 | generated | mp-1187880 | Tm4Th1 | 5 | 8 | 165.01 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.4163570404,
0.8968923092,
0.3274201751
],
[
0.8968476653,
3.4195408821,
0.3211963177
],
[
0.3273283541,
0.321... |
gen-mp-1186721 | -7.11657 | -7.011351 | 7.24975 | generated | mp-1186721 | Ac4Pr7Lu5Dy4 | 20 | 1 | 700.01 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
9.574669838,
-0.7819646597,
-0.951664269
],
[
-0.7819658518,
9.5330133438,
-2.0338153839
],
[
-0.9516482949,
-2... |
gen-mp-1226649 | -8.179721 | -1.197961 | 4.691354 | generated | mp-1226649 | Np1Co3Al1 | 5 | 1 | 74.01 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.9930877686,
-0.1271718889,
-1.0517859459
],
[
-0.1270961612,
4.8936753273,
-1.1422868967
],
[
-1.0518653393,
... |
gen-mp-3941 | 8.516537 | 1.607169 | -0.711549 | generated | mp-3941 | Li2F9Y1 | 12 | 1 | 155.73 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.663187027,
-1.2214156389,
-1.1474839449
],
[
-1.2213512659,
5.654381752,
-1.0239543915
],
[
-1.1474821568,
-1... |
gen-mp-756420 | 12.043634 | 12.107627 | 0.410799 | generated | mp-756420 | Cr2O2 | 4 | 8 | 50.16 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
2.95190835,
0.7434828281,
0.4738798738
],
[
0.7435642481,
2.9632446766,
0.4587516785
],
[
0.4738526344,
0.45868... |
gen-mp-5699 | 8.790561 | 0.630813 | 0.286032 | generated | mp-5699 | F5K2Cu1 | 8 | 107 | 139.69 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.3938965797,
-1.4506219625,
-1.4640538692
],
[
-1.4506260157,
5.5499019623,
-0.4253768325
],
[
-1.4640675783,
... |
gen-mp-1103932 | -5.822368 | -3.642704 | -1.569825 | generated | mp-1103932 | Te4Dy2 | 6 | 99 | 174.16 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.4434080124,
-0.0144884204,
0.0072804918
],
[
-0.0144351851,
4.412630558,
0.0144563885
],
[
0.0072339466,
0.01... |
gen-mp-1184858 | -9.354887 | -4.637416 | 3.759084 | generated | mp-1184858 | Cu15In5 | 20 | 1 | 287.07 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.4321293831,
-0.0294097215,
0.0046161516
],
[
-0.0294115581,
7.1084418297,
1.6602274179
],
[
0.004639077,
1.66... |
gen-mp-4050 | -6.421808 | -1.441892 | 3.575156 | generated | mp-4050 | Tc3Np1As3Ru2 | 9 | 6 | 137.12 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.9478070736,
-0.0242537931,
-0.0038177527
],
[
-0.0242062248,
6.0903840065,
-1.6181908846
],
[
-0.0039152019,
... |
gen-mp-1205530 | 8.078716 | 0.7487 | 1.521534 | generated | mp-1205530 | Rb6F12Gd2 | 20 | 1 | 449.49 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
6.2432374954,
0.1568252891,
-0.0153389294
],
[
0.1567223966,
7.1592879295,
-0.0357404314
],
[
-0.0153666586,
-0... |
gen-mp-9753 | 8.735271 | 2.153147 | 1.850894 | generated | mp-9753 | F5Na1Pu2 | 8 | 1 | 150.93 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.0477895737,
-0.9322843552,
-0.1320420355
],
[
-0.9322761297,
6.2437229156,
-0.8989160657
],
[
-0.1320994049,
... |
gen-mp-1008626 | -6.171218 | -1.880662 | -1.541001 | generated | mp-1008626 | V2Te2 | 4 | 8 | 205.17 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.470707655,
-0.9383186102,
0.01121666
],
[
-0.93838799,
3.4673242569,
-0.064273037
],
[
0.0112326648,
-0.06429... |
gen-mp-1094669 | -6.903864 | -10.371612 | 4.112456 | generated | mp-1094669 | Mg7Sn4 | 11 | 8 | 266.09 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.2230842113,
-0.6236301064,
0.0035716416
],
[
-0.6236168742,
5.4218029976,
0.2004303038
],
[
0.0035326257,
0.2... |
gen-mp-761153 | -5.188655 | -3.826705 | 3.133809 | generated | mp-761153 | U13Sb2O1 | 16 | 8 | 361.6 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.1398425102,
1.3544217348,
0.718426466
],
[
1.3544270992,
5.1280426979,
0.7112133503
],
[
0.7185559869,
0.7112... |
gen-mp-1214433 | 9.044087 | 7.660835 | -4.377779 | generated | mp-1214433 | Ca1Ba1As2O11U1 | 16 | 1 | 248.56 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
5.462240696,
0.9925305843,
0.1007243171
],
[
0.9925290346,
5.4592494965,
0.9066026807
],
[
0.1007331982,
0.9066... |
gen-mp-11517 | -6.379505 | -0.947411 | 3.98896 | generated | mp-11517 | Tc3Ru1 | 4 | 8 | 56.88 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
2.6121938229,
0.7049056888,
0.2959947884
],
[
0.70496279,
2.6293239594,
0.3153650165
],
[
0.2959969342,
0.31526... |
gen-mp-21064 | -3.625384 | 1.478921 | 2.941443 | generated | mp-21064 | Eu2B5Ni2C3 | 12 | 6 | 117.77 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.4701304436,
-0.0117680393,
0.0207354724
],
[
-0.0118389558,
5.8145208359,
-0.0254798625
],
[
0.0208421871,
-0... |
gen-mp-1229019 | -3.676594 | -1.415114 | -5.380933 | generated | mp-1229019 | Ag1S2Sb1 | 4 | 6 | 85.52 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.9168748856,
-0.0064074416,
-0.0057080598
],
[
-0.0063613653,
3.9513278008,
0.0237341374
],
[
-0.0057369126,
0... |
gen-mp-1188392 | -3.811068 | -1.407729 | -5.831478 | generated | mp-1188392 | S6In4Li2 | 12 | 8 | 290.22 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
4.0444369316,
1.0281159878,
0.2973784506
],
[
1.0280667543,
4.0295505524,
0.2944015265
],
[
0.2973915637,
0.294... |
gen-mp-865808 | -7.103329 | -6.908361 | 6.899625 | generated | mp-865808 | Li4Nd6 | 10 | 1 | 278.86 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.6678106785,
-0.0245030373,
0.0149214976
],
[
-0.0244448148,
8.713341713,
-0.0120183155
],
[
0.0149451522,
-0.... |
gen-mp-1190156 | -4.599842 | -3.431115 | -3.656836 | generated | mp-1190156 | Gd2Se7Ba2Si1 | 12 | 1 | 364.62 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
6.9948878288,
0.5539181232,
0.6389306784
],
[
0.5538483858,
6.8943557739,
-0.7085053325
],
[
0.6389009953,
-0.7... |
gen-mp-777888 | 9.624237 | 2.645854 | 1.999327 | generated | mp-777888 | Fe5Li4F11 | 20 | 156 | 253.93 | {
"@module": "pymatgen.core.structure",
"@class": "Structure",
"charge": 0,
"lattice": {
"matrix": [
[
3.3793919086,
-0.9122110009,
-0.0197319742
],
[
-0.9123281837,
3.3656613827,
-0.0087276036
],
[
-0.0197476745,
... |
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