mp_id stringlengths 4 38 | elements listlengths 1 10 | atomic_numbers listlengths 1 200 | num_atoms int32 1 200 | num_elements int32 1 10 | fractional_coords listlengths 1 200 | lattice dict | spacegroup_number int32 0 230 | reduced_formula stringlengths 1 24 | tier stringclasses 3
values | is_li_containing bool 2
classes | num_li_atoms int32 0 104 ⌀ | band_gap float32 0 17.9 ⌀ | energy_above_hull float32 0 9.71 ⌀ | formation_energy_per_atom float32 -5.15 8.99 ⌀ | is_metal bool 2
classes | source_tags listlengths 1 5 ⌀ | source stringclasses 4
values |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
mp-1184780 | [
"C",
"Ir"
] | [
77,
77,
77,
77,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 16 | 2 | [
[
0.25,
0.023240000009536743,
0.16174200177192688
],
[
0.75,
0.5232399702072144,
0.3382579982280731
],
[
0.25,
0.47675999999046326,
0.6617419719696045
],
[
0.75,
0.9767600297927856,
0.8382580280303955
],
[
0.25,
0.8952720165252686,
0.303811... | {
"a": 2.6069769859313965,
"b": 4.338807106018066,
"c": 13.628789901733398,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | IrC3 | hard_negative | false | null | 0 | 0.736481 | 0.736481 | true | [
"metallic"
] | null |
mp-11871 | [
"Ni",
"Ho"
] | [
67,
67,
67,
67,
28,
28,
28,
28
] | 8 | 2 | [
[
0.25,
0.3671569228172302,
0.6806028485298157
],
[
0.75,
0.6328430771827698,
0.3193971812725067
],
[
0.75,
0.8671569228172302,
0.8193971514701843
],
[
0.25,
0.13284307718276978,
0.1806028187274933
],
[
0.25,
0.8765257596969604,
0.535588681... | {
"a": 4.123227119445801,
"b": 5.353289604187012,
"c": 7.001763343811035,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | HoNi | hard_negative | false | null | 0 | 0 | -0.460614 | true | [
"metallic"
] | null |
mp-1188098 | [
"Zn",
"Ce"
] | [
58,
58,
58,
58,
30,
30,
30,
30,
30,
30,
30,
30,
30,
30,
30,
30
] | 16 | 2 | [
[
0.25,
0.2703699469566345,
0.6537336707115173
],
[
0.25,
0.7703699469566345,
0.8462663292884827
],
[
0.75,
0.7296300530433655,
0.3462662994861603
],
[
0.75,
0.22963005304336548,
0.15373368561267853
],
[
0.25,
0.5428710579872131,
0.11709699... | {
"a": 4.4818034172058105,
"b": 6.532376289367676,
"c": 10.140312194824219,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | CeZn3 | hard_negative | false | null | 0 | 0 | -0.292961 | true | [
"metallic"
] | null |
mp-1188125 | [
"Ru",
"Sm"
] | [
62,
62,
62,
62,
62,
62,
62,
62,
62,
62,
62,
62,
44,
44,
44,
44
] | 16 | 2 | [
[
0.32704153656959534,
0.675158679485321,
0.5673781037330627
],
[
0.17295847833156586,
0.17515867948532104,
0.9326218962669373
],
[
0.672958493232727,
0.32484132051467896,
0.06737809628248215
],
[
0.827041506767273,
0.824841320514679,
0.43262189626693726
... | {
"a": 6.45971155166626,
"b": 7.34157133102417,
"c": 9.505056381225586,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | Sm3Ru | hard_negative | false | null | 0 | 0 | -0.256022 | true | [
"metallic"
] | null |
mp-1188131 | [
"Er",
"Os"
] | [
68,
68,
68,
68,
68,
68,
68,
68,
68,
68,
68,
68,
76,
76,
76,
76
] | 16 | 2 | [
[
0.33263099193573,
0.6764749884605408,
0.06224999949336052
],
[
0.16736899316310883,
0.17647500336170197,
0.4377500116825104
],
[
0.66736900806427,
0.32352501153945923,
0.562250018119812
],
[
0.83263099193573,
0.8235250115394592,
0.937749981880188
],
... | {
"a": 6.237195014953613,
"b": 7.329010963439941,
"c": 8.989543914794922,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | Er3Os | hard_negative | false | null | 0 | 0 | -0.292494 | true | [
"metallic"
] | null |
mp-1188155 | [
"P",
"Re"
] | [
75,
75,
75,
75,
15,
15,
15,
15,
15,
15,
15,
15,
15,
15,
15,
15
] | 16 | 2 | [
[
0.25,
0.35070642828941345,
0.6499889492988586
],
[
0.25,
0.14929358661174774,
0.14998891949653625
],
[
0.75,
0.6492936015129089,
0.35001108050346375
],
[
0.75,
0.8507063984870911,
0.8500110507011414
],
[
0.25,
0.14614304900169373,
0.51260... | {
"a": 3.1485021114349365,
"b": 5.124857425689697,
"c": 15.366352081298828,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | ReP3 | general_inorganic | false | null | 0.2069 | 0.010872 | -0.403055 | false | null | null |
mp-1188175 | [
"Se",
"Gd"
] | [
64,
64,
64,
64,
64,
64,
64,
64,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34
] | 20 | 2 | [
[
0.25,
0.1872444450855255,
0.48908528685569763
],
[
0.25,
0.3127555549144745,
0.98908531665802
],
[
0.75,
0.8127555251121521,
0.51091468334198
],
[
0.75,
0.6872444748878479,
0.010914710350334644
],
[
0.75,
0.49640387296676636,
0.6927354335... | {
"a": 4.0710554122924805,
"b": 11.06228256225586,
"c": 11.224720001220703,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | Gd2Se3 | general_inorganic | false | null | 0.449 | 0 | -2.143875 | false | null | null |
mp-1188188 | [
"C",
"Mn"
] | [
25,
25,
25,
25,
25,
25,
25,
25,
25,
25,
25,
25,
6,
6,
6,
6
] | 16 | 2 | [
[
0.34210801124572754,
0.6854289770126343,
0.06584499776363373
],
[
0.15789200365543365,
0.18542900681495667,
0.4341549873352051
],
[
0.6578919887542725,
0.31457099318504333,
0.5658450126647949
],
[
0.8421080112457275,
0.8145710229873657,
0.934154987335205... | {
"a": 4.4366841316223145,
"b": 4.939463138580322,
"c": 6.704204082489014,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | Mn3C | hard_negative | false | null | 0 | 0.016571 | -0.00503 | true | [
"metallic"
] | null |
mp-1188200 | [
"Ni",
"Nd"
] | [
60,
60,
60,
60,
60,
60,
60,
60,
60,
60,
60,
60,
28,
28,
28,
28
] | 16 | 2 | [
[
0.32313576340675354,
0.6715088486671448,
0.06724665313959122
],
[
0.17686425149440765,
0.17150883376598358,
0.4327533543109894
],
[
0.6768642663955688,
0.3284911811351776,
0.567246675491333
],
[
0.8231357336044312,
0.8284911513328552,
0.932753324508667
... | {
"a": 6.553643703460693,
"b": 6.987551689147949,
"c": 9.982317924499512,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | Nd3Ni | hard_negative | false | null | 0 | 0 | -0.169169 | true | [
"metallic"
] | null |
mp-1188216 | [
"Te",
"Ce"
] | [
58,
58,
58,
58,
58,
58,
58,
58,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52
] | 20 | 2 | [
[
0.25,
0.18706902861595154,
0.4884856045246124
],
[
0.25,
0.31293097138404846,
0.98848557472229
],
[
0.75,
0.8129309415817261,
0.51151442527771
],
[
0.75,
0.6870690584182739,
0.011514400132000446
],
[
0.25,
0.9974132180213928,
0.8064057826... | {
"a": 4.482137203216553,
"b": 12.154550552368164,
"c": 12.380776405334473,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | Ce2Te3 | hard_negative | false | null | 0 | 0.023494 | -1.641461 | true | [
"metallic"
] | null |
mp-1188237 | [
"Tm",
"Ir"
] | [
69,
69,
69,
69,
69,
69,
69,
69,
69,
69,
69,
69,
77,
77,
77,
77
] | 16 | 2 | [
[
0.32210513949394226,
0.675804078578949,
0.06130266934633255
],
[
0.17789487540721893,
0.1758040487766266,
0.43869733810424805
],
[
0.6778948903083801,
0.3241959512233734,
0.561302661895752
],
[
0.8221051096916199,
0.824195921421051,
0.938697338104248
]... | {
"a": 6.347782135009766,
"b": 7.123777389526367,
"c": 8.94048023223877,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | Tm3Ir | hard_negative | false | null | 0 | 0 | -0.627014 | true | [
"metallic"
] | null |
mp-1188323 | [
"O",
"Ti"
] | [
22,
22,
22,
22,
22,
22,
22,
22,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 20 | 2 | [
[
0.25,
0.03069150075316429,
0.6840665340423584
],
[
0.25,
0.5306915044784546,
0.8159334659576416
],
[
0.75,
0.9693084955215454,
0.3159334659576416
],
[
0.75,
0.4693084955215454,
0.1840665191411972
],
[
0.25,
0.19644655287265778,
0.01908387... | {
"a": 2.838045835494995,
"b": 7.828932762145996,
"c": 8.145069122314453,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | Ti2O3 | general_inorganic | false | null | 0.1163 | 0.001529 | -3.30191 | false | [
"oxide"
] | null |
mp-1188353 | [
"N",
"Fe"
] | [
26,
26,
26,
26,
26,
26,
26,
26,
26,
26,
26,
26,
7,
7,
7,
7
] | 16 | 2 | [
[
0.6844519972801208,
0.556335985660553,
0.25
],
[
0.8155480027198792,
0.05633600056171417,
0.25
],
[
0.31554800271987915,
0.443664014339447,
0.75
],
[
0.18445199728012085,
0.943664014339447,
0.75
],
[
0.18645000457763672,
0.6729339957237244,
... | {
"a": 4.47103214263916,
"b": 4.940516948699951,
"c": 7.070312023162842,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | Fe3N | hard_negative | false | null | 0 | 0.12642 | -0.031359 | true | [
"metallic"
] | null |
mp-1188367 | [
"Zn",
"Er"
] | [
68,
68,
68,
68,
30,
30,
30,
30,
30,
30,
30,
30,
30,
30,
30,
30
] | 16 | 2 | [
[
0.25,
0.279694527387619,
0.1624174863100052
],
[
0.25,
0.7796945571899414,
0.337582528591156
],
[
0.75,
0.7203054428100586,
0.837582528591156
],
[
0.75,
0.2203054577112198,
0.662417471408844
],
[
0.25,
0.5368776917457581,
0.60309278964996... | {
"a": 4.286451816558838,
"b": 6.597237586975098,
"c": 9.93013858795166,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | ErZn3 | hard_negative | false | null | 0 | 0 | -0.3956 | true | [
"metallic"
] | null |
mp-1188441 | [
"Ti",
"Cu"
] | [
22,
22,
22,
22,
29,
29,
29,
29,
29,
29,
29,
29,
29,
29,
29,
29,
29,
29,
29,
29
] | 20 | 2 | [
[
0.25,
0.15669381618499756,
0.5970313549041748
],
[
0.25,
0.6566938161849976,
0.9029686450958252
],
[
0.75,
0.8433061838150024,
0.4029686748981476
],
[
0.75,
0.34330618381500244,
0.09703134000301361
],
[
0.25,
0.16155493259429932,
0.002703... | {
"a": 4.299386024475098,
"b": 4.4683403968811035,
"c": 12.83888053894043,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | TiCu4 | hard_negative | false | null | 0 | 0 | -0.085926 | true | [
"metallic"
] | null |
mp-1188476 | [
"Ho",
"Pt"
] | [
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
78,
78,
78,
78
] | 16 | 2 | [
[
0.31886330246925354,
0.6761443614959717,
0.062351301312446594
],
[
0.18113669753074646,
0.17614434659481049,
0.4376487135887146
],
[
0.6811367273330688,
0.3238556683063507,
0.5623512864112854
],
[
0.8188632726669312,
0.8238556385040283,
0.937648713588714... | {
"a": 6.4309234619140625,
"b": 6.989887714385986,
"c": 9.572379112243652,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | Ho3Pt | hard_negative | false | null | 0 | 0 | -0.804135 | true | [
"metallic"
] | null |
mp-1188506 | [
"La",
"Ir"
] | [
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
77,
77,
77,
77
] | 16 | 2 | [
[
0.3245108723640442,
0.6595622897148132,
0.06874994933605194
],
[
0.17548911273479462,
0.15956227481365204,
0.43125003576278687
],
[
0.6754891276359558,
0.34043774008750916,
0.5687499642372131
],
[
0.8245108723640442,
0.8404377102851868,
0.931250035762786... | {
"a": 6.725779056549072,
"b": 7.390018939971924,
"c": 10.242511749267578,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | La3Ir | hard_negative | false | null | 0 | 0.000181 | -0.48857 | true | [
"metallic"
] | null |
mp-1188532 | [
"S",
"Lu"
] | [
71,
71,
71,
71,
71,
71,
71,
71,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16
] | 20 | 2 | [
[
0.25,
0.1873023808002472,
0.4892953038215637
],
[
0.25,
0.3126976191997528,
0.9892953038215637
],
[
0.75,
0.8126976490020752,
0.5107046961784363
],
[
0.75,
0.6873023509979248,
0.010704699903726578
],
[
0.75,
0.49589407444000244,
0.6915899... | {
"a": 3.755937337875366,
"b": 10.345105171203613,
"c": 10.365296363830566,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | Lu2S3 | general_inorganic | false | null | 0.7199 | 0.045047 | -2.308997 | false | [
"sulfide"
] | null |
mp-1188645 | [
"S",
"Y"
] | [
39,
39,
39,
39,
39,
39,
39,
39,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16
] | 20 | 2 | [
[
0.25,
0.1871805489063263,
0.4903568625450134
],
[
0.25,
0.3128194510936737,
0.9903568625450134
],
[
0.75,
0.8128194212913513,
0.5096431374549866
],
[
0.75,
0.6871805787086487,
0.009643140248954296
],
[
0.75,
0.4954143166542053,
0.69184494... | {
"a": 3.869351387023926,
"b": 10.50628662109375,
"c": 10.631993293762207,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | Y2S3 | general_inorganic | false | null | 0.6665 | 0.008066 | -2.374582 | false | [
"sulfide"
] | null |
mp-1188656 | [
"Nd",
"Os"
] | [
60,
60,
60,
60,
60,
60,
60,
60,
60,
60,
60,
60,
76,
76,
76,
76
] | 16 | 2 | [
[
0.3266089856624603,
0.672588050365448,
0.06655372679233551
],
[
0.17339099943637848,
0.17258808016777039,
0.4334462881088257
],
[
0.6733909845352173,
0.3274119198322296,
0.5665537118911743
],
[
0.8266090154647827,
0.827411949634552,
0.9334462881088257
... | {
"a": 6.59153413772583,
"b": 7.470620155334473,
"c": 9.59680461883545,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | Nd3Os | hard_negative | false | null | 0 | 0 | -0.146917 | true | [
"metallic"
] | null |
mp-1188757 | [
"Y",
"Os"
] | [
39,
39,
39,
39,
39,
39,
39,
39,
39,
39,
39,
39,
76,
76,
76,
76
] | 16 | 2 | [
[
0.3306020200252533,
0.6724883913993835,
0.06397013366222382
],
[
0.1693979799747467,
0.17248837649822235,
0.4360298812389374
],
[
0.6693980097770691,
0.32751163840293884,
0.563970148563385
],
[
0.8306019902229309,
0.8275116086006165,
0.936029851436615
... | {
"a": 6.385592937469482,
"b": 7.403991222381592,
"c": 9.08858871459961,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | Y3Os | hard_negative | false | null | 0 | 0 | -0.26139 | true | [
"metallic"
] | null |
mp-1188770 | [
"Co",
"Er"
] | [
68,
68,
68,
68,
68,
68,
68,
68,
68,
68,
68,
68,
27,
27,
27,
27
] | 16 | 2 | [
[
0.32328298687934875,
0.6757580041885376,
0.06567300111055374
],
[
0.17671699821949005,
0.1757580041885376,
0.43432700634002686
],
[
0.6767169833183289,
0.3242419958114624,
0.5656729936599731
],
[
0.8232830166816711,
0.8242419958114624,
0.9343270063400269... | {
"a": 6.104596138000488,
"b": 6.838953018188477,
"c": 9.285942077636719,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | Er3Co | hard_negative | false | null | 0 | 0 | -0.174362 | true | [
"metallic"
] | null |
mp-1188800 | [
"P",
"Sc"
] | [
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
15,
15,
15,
15
] | 16 | 2 | [
[
0.34949201345443726,
0.6747197508811951,
0.049923498183488846
],
[
0.15050798654556274,
0.17471973598003387,
0.45007649064064026
],
[
0.6505079865455627,
0.3252802789211273,
0.5499234795570374
],
[
0.8494920134544373,
0.8252802491188049,
0.95007652044296... | {
"a": 5.765305995941162,
"b": 6.799535274505615,
"c": 8.462620735168457,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | Sc3P | hard_negative | false | null | 0 | 0 | -0.873488 | true | [
"metallic"
] | null |
mp-1188869 | [
"N",
"Nb"
] | [
41,
41,
41,
41,
41,
41,
41,
41,
7,
7,
7,
7,
7,
7,
7,
7,
7,
7,
7,
7
] | 20 | 2 | [
[
0.25,
0.18724322319030762,
0.47826194763183594
],
[
0.25,
0.3127567768096924,
0.9782619476318359
],
[
0.75,
0.8127567768096924,
0.5217380523681641
],
[
0.75,
0.6872432231903076,
0.021738050505518913
],
[
0.25,
0.9955242276191711,
0.805639... | {
"a": 3.0139427185058594,
"b": 8.191753387451172,
"c": 8.303300857543945,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | Nb2N3 | hard_negative | false | null | 0 | 0.017389 | -1.019467 | true | [
"metallic"
] | null |
mp-1188870 | [
"Zn",
"Pr"
] | [
59,
59,
59,
59,
30,
30,
30,
30,
30,
30,
30,
30,
30,
30,
30,
30
] | 16 | 2 | [
[
0.25,
0.7805508971214294,
0.6545239090919495
],
[
0.25,
0.28055086731910706,
0.8454760909080505
],
[
0.75,
0.21944911777973175,
0.34547606110572815
],
[
0.75,
0.7194491028785706,
0.15452392399311066
],
[
0.25,
0.03466421365737915,
0.10902... | {
"a": 4.527796745300293,
"b": 6.742030143737793,
"c": 10.26978588104248,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | PrZn3 | hard_negative | false | null | 0 | 0.002021 | -0.333869 | true | [
"metallic"
] | null |
mp-1188926 | [
"Sc",
"As"
] | [
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
33,
33,
33,
33,
33,
33,
33,
33
] | 20 | 2 | [
[
0.75,
0.0036141499876976013,
0.3962601125240326
],
[
0.75,
0.5036141276359558,
0.10373987257480621
],
[
0.25,
0.9963858723640442,
0.603739857673645
],
[
0.25,
0.4963858425617218,
0.896260142326355
],
[
0.75,
0.16282154619693756,
0.7753462... | {
"a": 3.8830018043518066,
"b": 7.1570143699646,
"c": 14.787042617797852,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | Sc3As2 | hard_negative | false | null | 0 | 0 | -1.312622 | true | [
"metallic"
] | null |
mp-1188974 | [
"Ce",
"Os"
] | [
58,
58,
58,
58,
58,
58,
58,
58,
58,
58,
58,
58,
76,
76,
76,
76
] | 16 | 2 | [
[
0.3458609879016876,
0.6687229871749878,
0.05931999906897545
],
[
0.15413899719715118,
0.168723002076149,
0.44067999720573425
],
[
0.65413898229599,
0.3312770128250122,
0.5593199729919434
],
[
0.84586101770401,
0.8312770128250122,
0.9406800270080566
],
... | {
"a": 6.173771858215332,
"b": 7.073605060577393,
"c": 9.689399719238281,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | Ce3Os | hard_negative | false | null | 0 | 0 | -0.126361 | true | [
"metallic"
] | null |
mp-1188983 | [
"Zn",
"Tb"
] | [
65,
65,
65,
65,
30,
30,
30,
30,
30,
30,
30,
30,
30,
30,
30,
30
] | 16 | 2 | [
[
0.25,
0.7811834812164307,
0.6603180766105652
],
[
0.25,
0.2811834514141083,
0.8396819233894348
],
[
0.75,
0.21881653368473053,
0.3396819233894348
],
[
0.75,
0.7188165187835693,
0.16031807661056519
],
[
0.25,
0.03562502562999725,
0.1040636... | {
"a": 4.356937408447266,
"b": 6.645416736602783,
"c": 9.991816520690918,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | TbZn3 | hard_negative | false | null | 0 | 0 | -0.404498 | true | [
"metallic"
] | null |
mp-1188994 | [
"Co",
"Tb"
] | [
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
27,
27,
27,
27
] | 16 | 2 | [
[
0.8205838203430176,
0.6710900068283081,
0.06963171809911728
],
[
0.6794161796569824,
0.1710900068283081,
0.4303682744503021
],
[
0.1794162094593048,
0.3289099931716919,
0.5696316957473755
],
[
0.3205837905406952,
0.8289099931716919,
0.9303683042526245
... | {
"a": 6.244424819946289,
"b": 6.87717342376709,
"c": 9.524277687072754,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | Tb3Co | hard_negative | false | null | 0 | 0 | -0.133015 | true | [
"metallic"
] | null |
mp-1189032 | [
"S",
"Fe"
] | [
26,
26,
26,
26,
26,
26,
26,
26,
26,
26,
26,
26,
16,
16,
16,
16
] | 16 | 2 | [
[
0.7332000136375427,
0.09683500230312347,
0.5521020293235779
],
[
0.23319999873638153,
0.4031650125980377,
0.9478979706764221
],
[
0.2667999863624573,
0.9031649827957153,
0.05210199952125549
],
[
0.7667999863624573,
0.5968350172042847,
0.4478980004787445
... | {
"a": 4.965938091278076,
"b": 5.3364129066467285,
"c": 7.016905784606934,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | Fe3S | hard_negative | false | null | 0 | 0.16345 | -0.215271 | true | [
"sulfide",
"metallic"
] | null |
mp-1189033 | [
"Ru",
"Tb"
] | [
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
44,
44,
44,
44
] | 16 | 2 | [
[
0.32867303490638733,
0.17549015581607819,
0.5654875636100769
],
[
0.17132696509361267,
0.675490140914917,
0.9345124363899231
],
[
0.6713269352912903,
0.824509859085083,
0.0654875710606575
],
[
0.8286730647087097,
0.3245098292827606,
0.4345124363899231
... | {
"a": 6.364041805267334,
"b": 7.284768104553223,
"c": 9.194822311401367,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | Tb3Ru | hard_negative | false | null | 0 | 0 | -0.30369 | true | [
"metallic"
] | null |
mp-1189035 | [
"N",
"Na"
] | [
11,
11,
11,
11,
11,
11,
11,
11,
11,
11,
11,
11,
7,
7,
7,
7
] | 16 | 2 | [
[
0.5870770215988159,
0.5300319790840149,
0.25
],
[
0.9129229784011841,
0.030031999573111534,
0.25
],
[
0.41292300820350647,
0.4699679911136627,
0.75
],
[
0.08707699924707413,
0.9699680209159851,
0.75
],
[
0.11751099675893784,
0.658876001834869... | {
"a": 5.0646138191223145,
"b": 7.189901828765869,
"c": 7.704896926879883,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | Na3N | hard_negative | false | null | 0.0063 | 0.240386 | 0.184731 | false | null | null |
mp-1189094 | [
"Eu",
"Au"
] | [
63,
63,
63,
63,
63,
63,
63,
63,
63,
63,
63,
63,
79,
79,
79,
79
] | 16 | 2 | [
[
0.3332992196083069,
0.6756287813186646,
0.5601676106452942
],
[
0.1667007952928543,
0.17562875151634216,
0.9398323893547058
],
[
0.6667007803916931,
0.32437124848365784,
0.0601675845682621
],
[
0.8332992196083069,
0.8243712186813354,
0.4398324191570282
... | {
"a": 6.948246002197266,
"b": 7.830146789550781,
"c": 10.22115707397461,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | Eu3Au | hard_negative | false | null | 0 | 0 | -0.450595 | true | [
"metallic"
] | null |
mp-1189101 | [
"La",
"Os"
] | [
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
76,
76,
76,
76
] | 16 | 2 | [
[
0.32611700892448425,
0.6702539920806885,
0.07024899870157242
],
[
0.17388300597667694,
0.17025400698184967,
0.4297510087490082
],
[
0.6738830208778381,
0.3297460079193115,
0.5702490210533142
],
[
0.8261169791221619,
0.8297460079193115,
0.9297509789466858... | {
"a": 6.618127822875977,
"b": 7.491415023803711,
"c": 10.116644859313965,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | La3Os | hard_negative | false | null | 0 | 0 | -0.152025 | true | [
"metallic"
] | null |
mp-1189116 | [
"Co",
"Lu"
] | [
71,
71,
71,
71,
71,
71,
71,
71,
71,
71,
71,
71,
27,
27,
27,
27
] | 16 | 2 | [
[
0.32319098711013794,
0.6766240000724792,
0.0654899999499321
],
[
0.17680899798870087,
0.17662400007247925,
0.4345099925994873
],
[
0.6768090128898621,
0.32337599992752075,
0.5654900074005127
],
[
0.8231909871101379,
0.8233759999275208,
0.9345099925994873... | {
"a": 6.120834827423096,
"b": 6.824175834655762,
"c": 9.108132362365723,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | Lu3Co | hard_negative | false | null | 0 | 0 | -0.209261 | true | [
"metallic"
] | null |
mp-1189120 | [
"Ho",
"Ir"
] | [
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
77,
77,
77,
77
] | 16 | 2 | [
[
0.3223761022090912,
0.675297737121582,
0.06295306235551834
],
[
0.17762388288974762,
0.17529772222042084,
0.43704694509506226
],
[
0.6776238679885864,
0.32470229268074036,
0.5629530549049377
],
[
0.8223761320114136,
0.824702262878418,
0.9370469450950623
... | {
"a": 6.39435338973999,
"b": 7.172915935516357,
"c": 9.117766380310059,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | Ho3Ir | hard_negative | false | null | 0 | 0 | -0.588374 | true | [
"metallic"
] | null |
mp-1189148 | [
"Ru",
"Lu"
] | [
71,
71,
71,
71,
71,
71,
71,
71,
71,
71,
71,
71,
44,
44,
44,
44
] | 16 | 2 | [
[
0.3333980143070221,
0.6765499711036682,
0.06324099749326706
],
[
0.1666020005941391,
0.1765500009059906,
0.43675899505615234
],
[
0.6666020154953003,
0.3234499990940094,
0.5632410049438477
],
[
0.8333979845046997,
0.8234500288963318,
0.9367589950561523
... | {
"a": 6.1355791091918945,
"b": 7.220384120941162,
"c": 8.912867546081543,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | Lu3Ru | hard_negative | false | null | 0 | 0 | -0.395741 | true | [
"metallic"
] | null |
mp-1189188 | [
"Ni",
"Ho"
] | [
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
28,
28,
28,
28
] | 16 | 2 | [
[
0.32103198766708374,
0.6783609986305237,
0.06639499962329865
],
[
0.17896799743175507,
0.17836099863052368,
0.43360498547554016
],
[
0.6789680123329163,
0.3216390013694763,
0.5663949847221375
],
[
0.8210319876670837,
0.8216390013694763,
0.933605015277862... | {
"a": 6.2629218101501465,
"b": 6.806703090667725,
"c": 9.534900665283203,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | Ho3Ni | hard_negative | false | null | 0 | 0 | -0.244963 | true | [
"metallic"
] | null |
mp-1189265 | [
"Na",
"Cl"
] | [
11,
11,
11,
11,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17,
17
] | 16 | 2 | [
[
0.25,
0.05084514990448952,
0.8206272125244141
],
[
0.25,
0.4491548538208008,
0.32062724232673645
],
[
0.75,
0.9491548538208008,
0.17937277257442474
],
[
0.75,
0.5508451461791992,
0.6793727874755859
],
[
0.25,
0.35775917768478394,
0.642487... | {
"a": 5.631302833557129,
"b": 8.000367164611816,
"c": 8.415782928466797,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | NaCl3 | general_inorganic | false | null | 2.7105 | 0.079942 | -0.939258 | false | [
"halide"
] | null |
mp-1189274 | [
"Ru",
"Er"
] | [
68,
68,
68,
68,
68,
68,
68,
68,
68,
68,
68,
68,
44,
44,
44,
44
] | 16 | 2 | [
[
0.3312720060348511,
0.6770560145378113,
0.06400500237941742
],
[
0.16872799396514893,
0.17705599963665009,
0.4359950125217438
],
[
0.6687279939651489,
0.3229439854621887,
0.5640050172805786
],
[
0.8312720060348511,
0.8229439854621887,
0.9359949827194214
... | {
"a": 6.236655235290527,
"b": 7.272443771362305,
"c": 9.101117134094238,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | Er3Ru | hard_negative | false | null | 0 | 0 | -0.354391 | true | [
"metallic"
] | null |
mp-1189286 | [
"C",
"Cr"
] | [
24,
24,
24,
24,
24,
24,
24,
24,
24,
24,
24,
24,
6,
6,
6,
6
] | 16 | 2 | [
[
0.3392380177974701,
0.17396412789821625,
0.5565649271011353
],
[
0.1607619971036911,
0.6739641427993774,
0.9434350728988647
],
[
0.6607620120048523,
0.8260358572006226,
0.05656490847468376
],
[
0.8392379879951477,
0.32603585720062256,
0.44343510270118713... | {
"a": 4.474975109100342,
"b": 5.190406322479248,
"c": 6.591693878173828,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | Cr3C | hard_negative | false | null | 0 | 0.012876 | -0.07077 | true | [
"metallic"
] | null |
mp-1189335 | [
"O",
"Y"
] | [
39,
39,
39,
39,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 16 | 2 | [
[
0.5705869793891907,
0.6118919849395752,
0.25
],
[
0.9294130206108093,
0.11189199984073639,
0.25
],
[
0.42941299080848694,
0.3881079852581024,
0.75
],
[
0.07058700174093246,
0.8881080150604248,
0.75
],
[
0.8644220232963562,
0.8086230158805847,... | {
"a": 4.516116142272949,
"b": 6.384592056274414,
"c": 7.00050687789917,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | YO3 | hard_negative | false | null | 0 | 0.462451 | -2.008719 | true | [
"oxide",
"metallic"
] | null |
mp-1189442 | [
"Tm",
"Pt"
] | [
69,
69,
69,
69,
69,
69,
69,
69,
69,
69,
69,
69,
78,
78,
78,
78
] | 16 | 2 | [
[
0.3176364302635193,
0.677457869052887,
0.061468251049518585
],
[
0.18236355483531952,
0.17745783925056458,
0.438531756401062
],
[
0.6823635697364807,
0.3225421607494354,
0.561468243598938
],
[
0.8176364302635193,
0.822542130947113,
0.938531756401062
],... | {
"a": 6.369977951049805,
"b": 6.935003757476807,
"c": 9.429247856140137,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | Tm3Pt | hard_negative | false | null | 0 | 0.002795 | -0.823955 | true | [
"metallic"
] | null |
mp-1189478 | [
"Er",
"Ir"
] | [
68,
68,
68,
68,
68,
68,
68,
68,
68,
68,
68,
68,
77,
77,
77,
77
] | 16 | 2 | [
[
0.3225441575050354,
0.6759238243103027,
0.062160588800907135
],
[
0.1774558424949646,
0.17592385411262512,
0.43783941864967346
],
[
0.6774558424949646,
0.3240761458873749,
0.5621606111526489
],
[
0.8225441575050354,
0.8240761756896973,
0.9378393888473511... | {
"a": 6.365142345428467,
"b": 7.14463472366333,
"c": 9.019022941589355,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | Er3Ir | hard_negative | false | null | 0 | 0 | -0.616001 | true | [
"metallic"
] | null |
mp-1189497 | [
"Ni",
"La"
] | [
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
28,
28,
28,
28
] | 16 | 2 | [
[
0.8245518207550049,
0.162818044424057,
0.06973409652709961
],
[
0.6754481792449951,
0.6628180146217346,
0.4302659034729004
],
[
0.17544816434383392,
0.8371819853782654,
0.5697340965270996
],
[
0.32455185055732727,
0.337181955575943,
0.9302659034729004
... | {
"a": 6.68228006362915,
"b": 7.111268997192383,
"c": 10.25333309173584,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | La3Ni | hard_negative | false | null | 0 | 0.003606 | -0.185088 | true | [
"metallic"
] | null |
mp-1189509 | [
"Ni",
"Yb"
] | [
70,
70,
70,
70,
70,
70,
70,
70,
70,
70,
70,
70,
28,
28,
28,
28
] | 16 | 2 | [
[
0.3175871968269348,
0.6779959201812744,
0.06683987379074097
],
[
0.18241280317306519,
0.1779959499835968,
0.43316012620925903
],
[
0.6824128031730652,
0.3220040500164032,
0.566839873790741
],
[
0.8175871968269348,
0.8220040798187256,
0.933160126209259
... | {
"a": 6.160060882568359,
"b": 6.673230171203613,
"c": 9.37341022491455,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | Yb3Ni | hard_negative | false | null | 0 | 0 | -0.295762 | true | [
"metallic"
] | null |
mp-1189512 | [
"Rh",
"Eu"
] | [
63,
63,
63,
63,
63,
63,
63,
63,
63,
63,
63,
63,
45,
45,
45,
45
] | 16 | 2 | [
[
0.8375232815742493,
0.17124854028224945,
0.5672797560691833
],
[
0.6624767184257507,
0.6712485551834106,
0.9327202439308167
],
[
0.16247674822807312,
0.8287514448165894,
0.06727973371744156
],
[
0.3375232517719269,
0.32875147461891174,
0.4327202737331390... | {
"a": 6.624825477600098,
"b": 7.7174835205078125,
"c": 9.736462593078613,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | Eu3Rh | hard_negative | false | null | 0 | 0 | -0.334533 | true | [
"metallic"
] | null |
mp-1189562 | [
"Lu",
"Ir"
] | [
71,
71,
71,
71,
71,
71,
71,
71,
71,
71,
71,
71,
77,
77,
77,
77
] | 16 | 2 | [
[
0.32897400856018066,
0.676705002784729,
0.06220800057053566
],
[
0.17102600634098053,
0.176705002784729,
0.43779200315475464
],
[
0.6710259914398193,
0.323294997215271,
0.5622079968452454
],
[
0.8289740085601807,
0.823294997215271,
0.9377920031547546
]... | {
"a": 6.235124111175537,
"b": 7.161365032196045,
"c": 9.030863761901855,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | Lu3Ir | hard_negative | false | null | 0 | 0 | -0.656137 | true | [
"metallic"
] | null |
mp-1189565 | [
"Tb",
"Os"
] | [
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
76,
76,
76,
76
] | 16 | 2 | [
[
0.32992029190063477,
0.673248291015625,
0.06395590305328369
],
[
0.17007970809936523,
0.173248291015625,
0.4360440969467163
],
[
0.6700797080993652,
0.326751708984375,
0.5639559030532837
],
[
0.8299202919006348,
0.826751708984375,
0.9360440969467163
],... | {
"a": 6.372495651245117,
"b": 7.381850242614746,
"c": 9.089916229248047,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | Tb3Os | hard_negative | false | null | 0 | 0 | -0.299838 | true | [
"metallic"
] | null |
mp-1189592 | [
"Ru",
"La"
] | [
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
44,
44,
44,
44
] | 16 | 2 | [
[
0.3291040062904358,
0.6683239936828613,
0.06916499882936478
],
[
0.1708959937095642,
0.16832399368286133,
0.4308350086212158
],
[
0.6708959937095642,
0.33167600631713867,
0.5691649913787842
],
[
0.8291040062904358,
0.8316760063171387,
0.9308350086212158
... | {
"a": 6.604946136474609,
"b": 7.388805866241455,
"c": 10.141871452331543,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | La3Ru | hard_negative | false | null | 0 | 0.00324 | -0.235456 | true | [
"metallic"
] | null |
mp-1189686 | [
"Nd",
"Ir"
] | [
60,
60,
60,
60,
60,
60,
60,
60,
60,
60,
60,
60,
77,
77,
77,
77
] | 16 | 2 | [
[
0.32418298721313477,
0.6693968176841736,
0.06591381132602692
],
[
0.17581701278686523,
0.1693968027830124,
0.4340862035751343
],
[
0.6758170127868652,
0.3306031823158264,
0.5659137964248657
],
[
0.8241829872131348,
0.8306031823158264,
0.9340862035751343
... | {
"a": 6.578921794891357,
"b": 7.354620933532715,
"c": 9.900546073913574,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | Nd3Ir | hard_negative | false | null | 0 | 0.001532 | -0.515557 | true | [
"metallic"
] | null |
mp-1189701 | [
"Sr",
"Hg"
] | [
38,
38,
38,
38,
80,
80,
80,
80,
80,
80,
80,
80,
80,
80,
80,
80
] | 16 | 2 | [
[
0.008891000412404537,
0.03309499844908714,
0.75
],
[
0.5088909864425659,
0.46690499782562256,
0.75
],
[
0.9911090135574341,
0.9669049978256226,
0.25
],
[
0.4911090135574341,
0.5330950021743774,
0.25
],
[
0.7323660254478455,
0.2304500043392181... | {
"a": 6.790567874908447,
"b": 6.867008209228516,
"c": 9.931218147277832,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | SrHg3 | hard_negative | false | null | 0 | 0.031223 | -0.389275 | true | [
"metallic"
] | null |
mp-1189726 | [
"Zn",
"Tm"
] | [
69,
69,
69,
69,
30,
30,
30,
30,
30,
30,
30,
30,
30,
30,
30,
30
] | 16 | 2 | [
[
0.25,
0.27959898114204407,
0.6632770299911499
],
[
0.25,
0.7795990109443665,
0.8367229700088501
],
[
0.75,
0.7204009890556335,
0.3367229402065277
],
[
0.75,
0.22040100395679474,
0.1632770448923111
],
[
0.25,
0.5368269681930542,
0.10231498... | {
"a": 4.274751663208008,
"b": 6.590240955352783,
"c": 9.900232315063477,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | TmZn3 | hard_negative | false | null | 0 | 0 | -0.395408 | true | [
"metallic"
] | null |
mp-1189834 | [
"Lu",
"Pt"
] | [
71,
71,
71,
71,
71,
71,
71,
71,
71,
71,
71,
71,
78,
78,
78,
78
] | 16 | 2 | [
[
0.3148495852947235,
0.17972150444984436,
0.06085273623466492
],
[
0.1851504147052765,
0.6797215342521667,
0.4391472637653351
],
[
0.6851504445075989,
0.8202784657478333,
0.5608527064323425
],
[
0.8148495554924011,
0.32027849555015564,
0.9391472935676575
... | {
"a": 6.319138050079346,
"b": 6.870204448699951,
"c": 9.295487403869629,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | Lu3Pt | hard_negative | false | null | 0 | 0.004127 | -0.840718 | true | [
"metallic"
] | null |
mp-1189835 | [
"Er",
"Pt"
] | [
68,
68,
68,
68,
68,
68,
68,
68,
68,
68,
68,
68,
78,
78,
78,
78
] | 16 | 2 | [
[
0.8186121582984924,
0.1763562113046646,
0.562014102935791
],
[
0.6813878417015076,
0.6763561964035034,
0.937985897064209
],
[
0.18138781189918518,
0.8236438035964966,
0.062014076858758926
],
[
0.3186121881008148,
0.3236437737941742,
0.43798592686653137
... | {
"a": 6.393397331237793,
"b": 6.962915420532227,
"c": 9.504026412963867,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | Er3Pt | hard_negative | false | null | 0 | 0.004168 | -0.805848 | true | [
"metallic"
] | null |
mp-1189887 | [
"Dy",
"Os"
] | [
66,
66,
66,
66,
66,
66,
66,
66,
66,
66,
66,
66,
76,
76,
76,
76
] | 16 | 2 | [
[
0.3304353952407837,
0.6732590198516846,
0.06350932270288467
],
[
0.16956458985805511,
0.17325903475284576,
0.4364906847476959
],
[
0.6695646047592163,
0.32674098014831543,
0.5635093450546265
],
[
0.8304353952407837,
0.8267409801483154,
0.9364906549453735... | {
"a": 6.331160068511963,
"b": 7.362041473388672,
"c": 9.022583961486816,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | Dy3Os | hard_negative | false | null | 0 | 0 | -0.31732 | true | [
"metallic"
] | null |
mp-1189938 | [
"Ru",
"Ho"
] | [
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
44,
44,
44,
44
] | 16 | 2 | [
[
0.3304640054702759,
0.6758670210838318,
0.06488899886608124
],
[
0.16953599452972412,
0.1758670061826706,
0.43511098623275757
],
[
0.6695359945297241,
0.3241330087184906,
0.5648890137672424
],
[
0.8304640054702759,
0.8241329789161682,
0.9351109862327576
... | {
"a": 6.249067783355713,
"b": 7.290957927703857,
"c": 9.133794784545898,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | Ho3Ru | hard_negative | false | null | 0 | 0 | -0.326158 | true | [
"metallic"
] | null |
mp-1189947 | [
"Lu",
"Os"
] | [
71,
71,
71,
71,
71,
71,
71,
71,
71,
71,
71,
71,
76,
76,
76,
76
] | 16 | 2 | [
[
0.33312198519706726,
0.6756129860877991,
0.061976999044418335
],
[
0.16687799990177155,
0.17561300098896027,
0.43802300095558167
],
[
0.6668779850006104,
0.3243870139122009,
0.5619770288467407
],
[
0.8331220149993896,
0.8243870139122009,
0.93802297115325... | {
"a": 6.160799026489258,
"b": 7.2895989418029785,
"c": 8.848133087158203,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | Lu3Os | hard_negative | false | null | 0 | 0 | -0.336576 | true | [
"metallic"
] | null |
mp-1189967 | [
"Pr",
"Os"
] | [
59,
59,
59,
59,
59,
59,
59,
59,
59,
59,
59,
59,
76,
76,
76,
76
] | 16 | 2 | [
[
0.3264169692993164,
0.6718150973320007,
0.06791236251592636
],
[
0.1735830456018448,
0.17181511223316193,
0.43208763003349304
],
[
0.6735830307006836,
0.32818490266799927,
0.5679123401641846
],
[
0.8264169692993164,
0.8281849026679993,
0.9320876598358154... | {
"a": 6.63479471206665,
"b": 7.497780799865723,
"c": 9.767428398132324,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | Pr3Os | hard_negative | false | null | 0 | 0.003016 | -0.101593 | true | [
"metallic"
] | null |
mp-1190011 | [
"Ho",
"Os"
] | [
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
76,
76,
76,
76
] | 16 | 2 | [
[
0.33073297142982483,
0.6731982827186584,
0.06301259249448776
],
[
0.16926704347133636,
0.17319828271865845,
0.43698740005493164
],
[
0.6692670583724976,
0.32680171728134155,
0.5630125999450684
],
[
0.8307329416275024,
0.8268017172813416,
0.93698740005493... | {
"a": 6.29109001159668,
"b": 7.34215784072876,
"c": 8.957416534423828,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | Ho3Os | hard_negative | false | null | 0 | 0 | -0.333545 | true | [
"metallic"
] | null |
mp-1190019 | [
"Zn",
"Lu"
] | [
71,
71,
71,
71,
30,
30,
30,
30,
30,
30,
30,
30,
30,
30,
30,
30
] | 16 | 2 | [
[
0.25,
0.27820539474487305,
0.6647388935089111
],
[
0.25,
0.778205394744873,
0.8352611064910889
],
[
0.75,
0.721794605255127,
0.3352610766887665
],
[
0.75,
0.22179460525512695,
0.16473890841007233
],
[
0.25,
0.5376886129379272,
0.102268368... | {
"a": 4.239039421081543,
"b": 6.5487847328186035,
"c": 9.888863563537598,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | LuZn3 | hard_negative | false | null | 0 | 0 | -0.38361 | true | [
"metallic"
] | null |
mp-1190029 | [
"Sm",
"Os"
] | [
62,
62,
62,
62,
62,
62,
62,
62,
62,
62,
62,
62,
76,
76,
76,
76
] | 16 | 2 | [
[
0.32812297344207764,
0.6731991767883301,
0.06551962345838547
],
[
0.17187702655792236,
0.17319920659065247,
0.43448036909103394
],
[
0.6718770265579224,
0.32680079340934753,
0.5655196309089661
],
[
0.8281229734420776,
0.8268008232116699,
0.93448036909103... | {
"a": 6.510796546936035,
"b": 7.433638572692871,
"c": 9.35094928741455,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | Sm3Os | hard_negative | false | null | 0 | 0 | -0.207471 | true | [
"metallic"
] | null |
mp-1190039 | [
"N",
"I"
] | [
53,
53,
53,
53,
53,
53,
53,
53,
53,
53,
53,
53,
7,
7,
7,
7
] | 16 | 2 | [
[
0.75,
0.3603909909725189,
0.7463459968566895
],
[
0.75,
0.8603910207748413,
0.7536540031433105
],
[
0.25,
0.6396089792251587,
0.25365400314331055
],
[
0.25,
0.13960899412631989,
0.24634599685668945
],
[
0.75,
0.13372400403022766,
0.080918... | {
"a": 8.659140586853027,
"b": 9.0725679397583,
"c": 11.026984214782715,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | I3N | hard_negative | false | null | 0 | 0.894002 | 0.812031 | true | [
"halide",
"metallic"
] | null |
mp-1190258 | [
"Pd",
"Yb"
] | [
70,
70,
70,
70,
70,
70,
70,
70,
70,
70,
70,
70,
46,
46,
46,
46
] | 16 | 2 | [
[
0.3202027976512909,
0.6784448027610779,
0.060294028371572495
],
[
0.1797971874475479,
0.1784447878599167,
0.4397059679031372
],
[
0.6797971725463867,
0.3215551972389221,
0.5602940320968628
],
[
0.8202028274536133,
0.8215551972389221,
0.9397059679031372
... | {
"a": 6.31420373916626,
"b": 6.879032611846924,
"c": 9.490504264831543,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | Yb3Pd | hard_negative | false | null | 0 | 0 | -0.548206 | true | [
"metallic"
] | null |
mp-1190267 | [
"As",
"Hf"
] | [
72,
72,
72,
72,
72,
72,
72,
72,
72,
72,
72,
72,
33,
33,
33,
33,
33,
33,
33,
33
] | 20 | 2 | [
[
0.25,
0.6254832148551941,
0.5437225699424744
],
[
0.25,
0.8745167851448059,
0.04372255504131317
],
[
0.75,
0.3745167851448059,
0.456277459859848
],
[
0.75,
0.1254832148551941,
0.9562774300575256
],
[
0.75,
0.06931526213884354,
0.627328038... | {
"a": 3.660306692123413,
"b": 10.046072006225586,
"c": 10.490739822387695,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | Hf3As2 | hard_negative | false | null | 0 | 0 | -0.900177 | true | [
"metallic"
] | null |
mp-1190274 | [
"Co",
"Sn"
] | [
27,
27,
27,
27,
27,
27,
27,
27,
27,
27,
27,
27,
50,
50,
50,
50,
50,
50,
50,
50
] | 20 | 2 | [
[
0.25,
0.9165300130844116,
0.12584200501441956
],
[
0.25,
0.4165300130844116,
0.37415799498558044
],
[
0.75,
0.08347000181674957,
0.8741580247879028
],
[
0.75,
0.5834699869155884,
0.6258419752120972
],
[
0.008844000287353992,
0.233965992927551... | {
"a": 5.247077941894531,
"b": 7.009558200836182,
"c": 8.17431354522705,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | Co3Sn2 | hard_negative | false | null | 0 | 0.073982 | -0.002722 | true | [
"metallic"
] | null |
mp-1190353 | [
"Na",
"Rh"
] | [
11,
11,
11,
11,
11,
11,
11,
11,
11,
11,
11,
11,
45,
45,
45,
45
] | 16 | 2 | [
[
0.25,
0.8817930221557617,
0.554328978061676
],
[
0.25,
0.6182069778442383,
0.054329000413417816
],
[
0.75,
0.11820700019598007,
0.4456709921360016
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[
0.75,
0.38179299235343933,
0.945671021938324
],
[
0.25,
0.9616860151290894,
0.90135097... | {
"a": 5.075736045837402,
"b": 8.7916259765625,
"c": 9.0204439163208,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | Na3Rh | hard_negative | false | null | 0 | 0.373389 | 0.373389 | true | [
"metallic"
] | null |
mp-1190609 | [
"O",
"V"
] | [
23,
23,
23,
23,
23,
23,
23,
23,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 24 | 2 | [
[
0.75,
0.5417449474334717,
0.12380357831716537
],
[
0.25,
0.4582550823688507,
0.8761964440345764
],
[
0.25,
0.9582550525665283,
0.6238035559654236
],
[
0.75,
0.04174492880702019,
0.37619641423225403
],
[
0.25,
0.9023563265800476,
0.0974591... | {
"a": 2.8440983295440674,
"b": 8.771719932556152,
"c": 10.589091300964355,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | VO2 | hard_negative | false | null | 0 | 0.079501 | -2.442967 | true | [
"oxide",
"metallic"
] | null |
mp-1191118 | [
"Sb",
"Cs"
] | [
55,
55,
55,
55,
55,
55,
55,
55,
55,
55,
55,
55,
55,
55,
55,
55,
51,
51,
51,
51,
51,
51,
51,
51
] | 24 | 2 | [
[
0.25,
0.26086199283599854,
0.7441520690917969
],
[
0.25,
0.23913802206516266,
0.2441520392894745
],
[
0.75,
0.7391380071640015,
0.2558479607105255
],
[
0.75,
0.7608619928359985,
0.7558479309082031
],
[
0.75,
0.09404893219470978,
0.7087188... | {
"a": 6.442040920257568,
"b": 11.282360076904297,
"c": 16.342906951904297,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | Cs2Sb | general_inorganic | false | null | 0.2839 | 0 | -0.560527 | false | null | null |
mp-1191474 | [
"Si",
"Ca"
] | [
20,
20,
20,
20,
20,
20,
20,
20,
20,
20,
20,
20,
14,
14,
14,
14,
14,
14,
14,
14,
14,
14,
14,
14
] | 24 | 2 | [
[
0.25,
0.6432009935379028,
0.8495090007781982
],
[
0.25,
0.8567990064620972,
0.34950900077819824
],
[
0.75,
0.35679900646209717,
0.15049099922180176
],
[
0.75,
0.14320099353790283,
0.6504909992218018
],
[
0.25,
0.33562400937080383,
0.82225... | {
"a": 3.8289060592651367,
"b": 10.979986190795898,
"c": 14.725565910339355,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | CaSi | hard_negative | false | null | 0 | 0.256057 | -0.345067 | true | [
"metallic"
] | null |
mp-1192077 | [
"C",
"Ba"
] | [
56,
56,
56,
56,
56,
56,
56,
56,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 24 | 2 | [
[
0.25,
0.5042650103569031,
0.8200500011444092
],
[
0.25,
0.004265000112354755,
0.6799499988555908
],
[
0.75,
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0.17994999885559082
],
[
0.75,
0.9957349896430969,
0.3200500011444092
],
[
0.25,
0.3548009991645813,
0.4024859... | {
"a": 5.559381008148193,
"b": 7.760418891906738,
"c": 9.784910202026367,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | BaC2 | general_inorganic | false | null | 2.9153 | 0.478173 | 0.414579 | false | null | null |
mp-1192175 | [
"Se",
"Rh"
] | [
45,
45,
45,
45,
45,
45,
45,
45,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34
] | 24 | 2 | [
[
0.25,
0.07459656894207001,
0.5755443572998047
],
[
0.25,
0.4254034161567688,
0.0755443274974823
],
[
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0.4244556725025177
],
[
0.75,
0.5745965838432312,
0.9244556427001953
],
[
0.25,
0.056158971041440964,
0.8053004... | {
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"b": 5.995368480682373,
"c": 21.102710723876953,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | RhSe2 | hard_negative | false | null | 0 | 0 | -0.51626 | true | [
"metallic"
] | null |
mp-1192935 | [
"Cu",
"Pu"
] | [
94,
94,
94,
94,
29,
29,
29,
29,
29,
29,
29,
29,
29,
29,
29,
29,
29,
29,
29,
29,
29,
29,
29,
29,
29,
29,
29,
29
] | 28 | 2 | [
[
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0.7584159970283508,
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],
[
0.25,
0.25841599702835083,
0.4344539940357208
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[
0.75,
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0.9344540238380432
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[
0.75,
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0.5655459761619568
],
[
0.25,
0.6380810141563416,
0.3574849... | {
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"b": 8.023286819458008,
"c": 10.06820297241211,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | PuCu6 | hard_negative | false | null | 0 | 0.049379 | 0.049379 | true | [
"metallic"
] | null |
mp-1193208 | [
"K",
"Hg"
] | [
19,
19,
19,
19,
80,
80,
80,
80,
80,
80,
80,
80,
80,
80,
80,
80,
80,
80,
80,
80,
80,
80,
80,
80,
80,
80,
80,
80
] | 28 | 2 | [
[
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],
[
0.25,
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],
[
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],
[
0.75,
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0.6812415719032288
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[
0.25,
0.13936364650726318,
0.54741... | {
"a": 5.442351818084717,
"b": 10.783349990844727,
"c": 13.803240776062012,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | KHg6 | hard_negative | false | null | 0 | 0 | -0.166173 | true | [
"metallic"
] | null |
mp-1193593 | [
"Ba",
"Hg"
] | [
56,
56,
56,
56,
80,
80,
80,
80,
80,
80,
80,
80,
80,
80,
80,
80,
80,
80,
80,
80,
80,
80,
80,
80,
80,
80,
80,
80
] | 28 | 2 | [
[
0.25,
0.12827500700950623,
0.8171059489250183
],
[
0.25,
0.3717249929904938,
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],
[
0.75,
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],
[
0.75,
0.6282750368118286,
0.6828940510749817
],
[
0.25,
0.8913406729698181,
0.006021299... | {
"a": 5.396108150482178,
"b": 10.591697692871094,
"c": 13.746212005615234,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | BaHg6 | hard_negative | false | null | 0 | 0 | -0.272961 | true | [
"metallic"
] | null |
mp-1194350 | [
"As",
"Se"
] | [
33,
33,
33,
33,
33,
33,
33,
33,
33,
33,
33,
33,
33,
33,
33,
33,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34
] | 28 | 2 | [
[
0.25,
0.01393665000796318,
0.08207786828279495
],
[
0.25,
0.5139366388320923,
0.41792213916778564
],
[
0.75,
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],
[
0.75,
0.4860633611679077,
0.5820778608322144
],
[
0.25,
0.16824060678482056,
0.562524... | {
"a": 8.355690956115723,
"b": 9.796046257019043,
"c": 10.687213897705078,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | As4Se3 | general_inorganic | false | null | 1.6129 | 0.003209 | -0.099213 | false | null | null |
mp-1194708 | [
"Cu",
"Gd"
] | [
64,
64,
64,
64,
29,
29,
29,
29,
29,
29,
29,
29,
29,
29,
29,
29,
29,
29,
29,
29,
29,
29,
29,
29,
29,
29,
29,
29
] | 28 | 2 | [
[
0.25,
0.2590540051460266,
0.43523699045181274
],
[
0.25,
0.7590540051460266,
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],
[
0.75,
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],
[
0.75,
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],
[
0.25,
0.14829500019550323,
0.1453589... | {
"a": 5.057706832885742,
"b": 8.026567459106445,
"c": 9.982979774475098,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | GdCu6 | hard_negative | false | null | 0 | 0.0034 | -0.138738 | true | [
"metallic"
] | null |
mp-1195719 | [
"Tm",
"Bi"
] | [
69,
69,
69,
69,
69,
69,
69,
69,
69,
69,
69,
69,
69,
69,
69,
69,
69,
69,
69,
69,
83,
83,
83,
83,
83,
83,
83,
83,
83,
83,
83,
83
] | 32 | 2 | [
[
0.8040909767150879,
0.5611569881439209,
0.06752599775791168
],
[
0.6959090232849121,
0.9388430118560791,
0.5675259828567505
],
[
0.19590899348258972,
0.061156999319791794,
0.9324740171432495
],
[
0.3040910065174103,
0.4388430118560791,
0.4324739873409271... | {
"a": 8.2498197555542,
"b": 9.39478588104248,
"c": 11.845234870910645,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | Tm5Bi3 | hard_negative | false | null | 0 | 0.011048 | -0.733956 | true | [
"metallic"
] | null |
mp-1195821 | [
"Cu",
"Zr"
] | [
40,
40,
40,
40,
40,
40,
40,
40,
40,
40,
40,
40,
29,
29,
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29,
29,
29,
29,
29,
29,
29,
29,
29,
29,
29,
29,
29,
29,
29
] | 44 | 2 | [
[
0.5628190040588379,
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],
[
0.0628189966082573,
0.0532820001244545,
0.13973699510097504
],
[
0.4371809959411621,
0.9467179775238037,
0.6397370100021362
],
[
0.9371809959411621,
0.5532820224761963,
0.8602629899978638
... | {
"a": 7.949873924255371,
"b": 8.229155540466309,
"c": 10.084490776062012,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | Zr3Cu8 | hard_negative | false | null | 0 | 0 | -0.167076 | true | [
"metallic"
] | null |
mp-1195860 | [
"Ge",
"Er"
] | [
68,
68,
68,
68,
68,
68,
68,
68,
68,
68,
68,
68,
68,
68,
68,
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68,
32,
32,
32,
32,
32,
32,
32,
32,
32,
32,
32,
32,
32,
32,
32,
32
] | 36 | 2 | [
[
0.6292719841003418,
0.16130731999874115,
0.6182678937911987
],
[
0.1292719542980194,
0.33869266510009766,
0.8817321062088013
],
[
0.3707280457019806,
0.8386926651000977,
0.11826788634061813
],
[
0.8707280158996582,
0.6613073348999023,
0.38173210620880127... | {
"a": 7.453181743621826,
"b": 7.5791401863098145,
"c": 14.355510711669922,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | Er5Ge4 | hard_negative | false | null | 0 | 0 | -0.847381 | true | [
"metallic"
] | null |
mp-1195885 | [
"Er",
"Pt"
] | [
68,
68,
68,
68,
68,
68,
68,
68,
68,
68,
68,
68,
68,
68,
68,
68,
68,
68,
68,
68,
78,
78,
78,
78,
78,
78,
78,
78,
78,
78,
78,
78,
78,
78,
78,
78
] | 36 | 2 | [
[
0.651094913482666,
0.16758286952972412,
0.6226440668106079
],
[
0.1510949283838272,
0.3324171304702759,
0.8773559331893921
],
[
0.3489050567150116,
0.8324171304702759,
0.1226440817117691
],
[
0.848905086517334,
0.6675828695297241,
0.3773559331893921
],... | {
"a": 7.403761863708496,
"b": 7.485320091247559,
"c": 14.38797664642334,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | Er5Pt4 | hard_negative | false | null | 0 | 0.003384 | -1.311167 | true | [
"metallic"
] | null |
mp-1196008 | [
"Ge",
"Ho"
] | [
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
32,
32,
32,
32,
32,
32,
32,
32,
32,
32,
32,
32,
32,
32,
32,
32
] | 36 | 2 | [
[
0.7852766513824463,
0.5020325183868408,
0.75
],
[
0.2852766215801239,
0.9979674816131592,
0.75
],
[
0.2147233635187149,
0.4979674816131592,
0.25
],
[
0.7147233486175537,
0.002032520016655326,
0.25
],
[
0.4704122841358185,
0.32352155447006226,... | {
"a": 7.525199890136719,
"b": 7.60892915725708,
"c": 14.457250595092773,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | Ho5Ge4 | hard_negative | false | null | 0 | 0 | -0.838479 | true | [
"metallic"
] | null |
mp-1196361 | [
"Sn",
"Pr"
] | [
59,
59,
59,
59,
59,
59,
59,
59,
59,
59,
59,
59,
59,
59,
59,
59,
59,
59,
59,
59,
50,
50,
50,
50,
50,
50,
50,
50,
50,
50,
50,
50,
50,
50,
50,
50
] | 36 | 2 | [
[
0.6315839886665344,
0.16444799304008484,
0.6198170185089111
],
[
0.13158400356769562,
0.33555200695991516,
0.8801829814910889
],
[
0.3684160113334656,
0.8355519771575928,
0.11981700360774994
],
[
0.8684160113334656,
0.6644480228424072,
0.3801830112934112... | {
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"b": 8.543474197387695,
"c": 16.178939819335938,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | Pr5Sn4 | hard_negative | false | null | 0 | 0 | -0.739837 | true | [
"metallic"
] | null |
mp-1196421 | [
"N",
"S"
] | [
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
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7,
7,
7,
7,
7,
7,
7,
7,
7,
7,
7,
7,
7,
7,
7,
7
] | 32 | 2 | [
[
0.22458699345588684,
0.6832420229911804,
0.134224995970726
],
[
0.27541300654411316,
0.18324199318885803,
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],
[
0.7754129767417908,
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0.6342250108718872
],
[
0.7245870232582092,
0.8167579770088196,
0.8657749891281128
... | {
"a": 7.172379970550537,
"b": 8.095748901367188,
"c": 13.227856636047363,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | SN | hard_negative | false | null | 0 | 0.481054 | 0.481054 | true | [
"sulfide",
"metallic"
] | null |
mp-1196455 | [
"Ge",
"Tm"
] | [
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69,
69,
69,
69,
69,
69,
69,
69,
69,
69,
69,
69,
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69,
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69,
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32,
32,
32,
32,
32,
32,
32,
32,
32,
32,
32,
32,
32,
32,
32,
32
] | 36 | 2 | [
[
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],
[
0.12568309903144836,
0.3389391601085663,
0.8818223476409912
],
[
0.37431690096855164,
0.8389391899108887,
0.1181776374578476
],
[
0.8743168711662292,
0.6610608100891113,
0.3818223476409912
... | {
"a": 7.4286112785339355,
"b": 7.528722286224365,
"c": 14.294342994689941,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | Tm5Ge4 | hard_negative | false | null | 0 | 0 | -0.836854 | true | [
"metallic"
] | null |
mp-1196458 | [
"Eu",
"Pt"
] | [
63,
63,
63,
63,
63,
63,
63,
63,
63,
63,
63,
63,
63,
63,
63,
63,
63,
63,
63,
63,
78,
78,
78,
78,
78,
78,
78,
78,
78,
78,
78,
78,
78,
78,
78,
78
] | 36 | 2 | [
[
0.6570309996604919,
0.1669899970293045,
0.3776629865169525
],
[
0.15703099966049194,
0.3330099880695343,
0.12233699858188629
],
[
0.34296900033950806,
0.8330100178718567,
0.8776630163192749
],
[
0.8429690003395081,
0.6669899821281433,
0.6223369836807251
... | {
"a": 7.755581855773926,
"b": 7.936549186706543,
"c": 15.285404205322266,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | Eu5Pt4 | hard_negative | false | null | 0 | 0 | -0.896988 | true | [
"metallic"
] | null |
mp-1196496 | [
"Ho",
"Bi"
] | [
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
83,
83,
83,
83,
83,
83,
83,
83,
83,
83,
83,
83
] | 32 | 2 | [
[
0.8110253810882568,
0.5631877183914185,
0.06495221704244614
],
[
0.6889746189117432,
0.9368122816085815,
0.5649521946907043
],
[
0.18897458910942078,
0.06318774074316025,
0.9350478053092957
],
[
0.3110254108905792,
0.43681225180625916,
0.4350477755069732... | {
"a": 8.233841896057129,
"b": 9.398698806762695,
"c": 11.976860046386719,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | Ho5Bi3 | hard_negative | false | null | 0 | 0.003681 | -0.792458 | true | [
"metallic"
] | null |
mp-1196525 | [
"Rh",
"Sm"
] | [
62,
62,
62,
62,
62,
62,
62,
62,
62,
62,
62,
62,
62,
62,
62,
62,
62,
62,
62,
62,
45,
45,
45,
45,
45,
45,
45,
45,
45,
45,
45,
45,
45,
45,
45,
45
] | 36 | 2 | [
[
0.660991370677948,
0.1686709076166153,
0.6219678521156311
],
[
0.1609913855791092,
0.3313290774822235,
0.8780321478843689
],
[
0.339008629322052,
0.8313291072845459,
0.1219678670167923
],
[
0.839008629322052,
0.6686708927154541,
0.3780321180820465
],
... | {
"a": 7.430865287780762,
"b": 7.582796573638916,
"c": 14.717228889465332,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | Sm5Rh4 | hard_negative | false | null | 0.001 | 0 | -0.702402 | false | null | null |
mp-1196980 | [
"Ga",
"Dy"
] | [
66,
66,
66,
66,
66,
66,
66,
66,
66,
66,
66,
66,
31,
31,
31,
31,
31,
31,
31,
31,
31,
31,
31,
31,
31,
31,
31,
31,
31,
31,
31,
31
] | 32 | 2 | [
[
0.8490012884140015,
0.25,
0.07769855856895447
],
[
0.6509987115859985,
0.25,
0.5776985883712769
],
[
0.15099869668483734,
0.75,
0.9223014116287231
],
[
0.34900131821632385,
0.75,
0.42230144143104553
],
[
0.8893663287162781,
0.0114075448364019... | {
"a": 6.102288722991943,
"b": 9.610583305358887,
"c": 11.365885734558105,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | Dy3Ga5 | hard_negative | false | null | 0 | 0.020638 | -0.741793 | true | [
"metallic"
] | null |
mp-1197019 | [
"Se",
"Np"
] | [
93,
93,
93,
93,
93,
93,
93,
93,
93,
93,
93,
93,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34
] | 32 | 2 | [
[
0.9803687930107117,
0.4994799792766571,
0.6789783239364624
],
[
0.5196312069892883,
0.0005200100131332874,
0.17897829413414001
],
[
0.019631190225481987,
0.9994800090789795,
0.32102170586586
],
[
0.48036882281303406,
0.5005199909210205,
0.821021676063537... | {
"a": 7.837047100067139,
"b": 8.38088607788086,
"c": 12.438821792602539,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | Np3Se5 | hard_negative | false | null | 0 | 0 | -1.4742 | true | [
"metallic"
] | null |
mp-1197242 | [
"Sr",
"Bi"
] | [
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
83,
83,
83,
83,
83,
83,
83,
83,
83,
83,
83,
83
] | 32 | 2 | [
[
0.8084381818771362,
0.5403389930725098,
0.5784708857536316
],
[
0.6915618181228638,
0.9596610069274902,
0.0784708634018898
],
[
0.19156183302402496,
0.040339019149541855,
0.4215291440486908
],
[
0.30843815207481384,
0.45966097712516785,
0.921529114246368... | {
"a": 8.949394226074219,
"b": 10.270320892333984,
"c": 13.610336303710938,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | Sr5Bi3 | hard_negative | false | null | 0 | 0 | -1.042487 | true | [
"metallic"
] | null |
mp-1197290 | [
"Ga",
"Tb"
] | [
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
31,
31,
31,
31,
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31,
31,
31,
31,
31,
31,
31,
31,
31,
31,
31,
31,
31,
31,
31
] | 32 | 2 | [
[
0.8488792181015015,
0.75,
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],
[
0.6511207818984985,
0.75,
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],
[
0.15112076699733734,
0.25,
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],
[
0.34887924790382385,
0.25,
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],
[
0.8884924054145813,
0.510055422782898,
... | {
"a": 6.115283489227295,
"b": 9.642333984375,
"c": 11.450294494628906,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | Tb3Ga5 | hard_negative | false | null | 0 | 0.026488 | -0.749751 | true | [
"metallic"
] | null |
mp-1197590 | [
"Ga",
"Ho"
] | [
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
31,
31,
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31,
31,
31,
31,
31,
31,
31,
31,
31,
31,
31,
31,
31,
31,
31,
31,
31
] | 32 | 2 | [
[
0.8490325808525085,
0.75,
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],
[
0.6509674191474915,
0.75,
0.5767756104469299
],
[
0.15096744894981384,
0.25,
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],
[
0.34903255105018616,
0.25,
0.42322438955307007
],
[
0.8889122009277344,
0.5100582838058472... | {
"a": 6.058541297912598,
"b": 9.550398826599121,
"c": 11.349367141723633,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | Ho3Ga5 | hard_negative | false | null | 0 | 0 | -0.642008 | true | [
"metallic"
] | null |
mp-1197748 | [
"As",
"Hf"
] | [
72,
72,
72,
72,
72,
72,
72,
72,
72,
72,
72,
72,
72,
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72,
72,
72,
72,
72,
72,
72,
72,
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72,
72,
72,
72,
72,
72,
72,
72,
72,
72,
72,
72,
72,
72,
72,
72,
33,
33,
33,
33,
33,
33,
33,
33,
33,
33,
33,
33,
33,
... | 64 | 2 | [
[
0.25,
0.8801199793815613,
0.7268840074539185
],
[
0.25,
0.6198800206184387,
0.22688399255275726
],
[
0.75,
0.11987999826669693,
0.27311599254608154
],
[
0.75,
0.38012000918388367,
0.7731159925460815
],
[
0.25,
0.5394200086593628,
0.823451... | {
"a": 3.6195719242095947,
"b": 12.405463218688965,
"c": 27.685537338256836,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | Hf5As3 | hard_negative | false | null | 0 | 0 | -0.86514 | true | [
"metallic"
] | null |
mp-1197755 | [
"Sc",
"Sb"
] | [
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51
] | 32 | 2 | [
[
0.8050752282142639,
0.5601282715797424,
0.9335164427757263
],
[
0.6949247717857361,
0.9398717284202576,
0.4335164427757263
],
[
0.1949247568845749,
0.06012830138206482,
0.06648355722427368
],
[
0.3050752580165863,
0.4398716986179352,
0.5664835572242737
... | {
"a": 7.664641380310059,
"b": 8.755879402160645,
"c": 11.168225288391113,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | Sc5Sb3 | hard_negative | false | null | 0 | 0 | -0.955092 | true | [
"metallic"
] | null |
mp-1197877 | [
"Rh",
"La"
] | [
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
45,
45,
45,
45,
45,
45,
45,
45,
45,
45,
45,
45,
45,
45,
45,
45
] | 36 | 2 | [
[
0.6606130003929138,
0.16456900537014008,
0.6220390200614929
],
[
0.16061300039291382,
0.3354310095310211,
0.8779609799385071
],
[
0.3393869996070862,
0.8354309797286987,
0.12203899770975113
],
[
0.8393869996070862,
0.6645690202713013,
0.37796100974082947... | {
"a": 7.646371841430664,
"b": 7.7242560386657715,
"c": 15.427013397216797,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | La5Rh4 | hard_negative | false | null | 0 | 0.018964 | -0.69396 | true | [
"metallic"
] | null |
mp-1197932 | [
"Ru",
"Pr"
] | [
59,
59,
59,
59,
59,
59,
59,
59,
59,
59,
59,
59,
59,
59,
59,
59,
59,
59,
59,
59,
59,
59,
59,
59,
59,
59,
59,
59,
44,
44,
44,
44,
44,
44,
44,
44,
44,
44,
44,
44
] | 40 | 2 | [
[
0.3185083270072937,
0.8157477378845215,
0.17444367706775665
],
[
0.1814916729927063,
0.31574776768684387,
0.32555630803108215
],
[
0.6814916729927063,
0.18425224721431732,
0.6744436621665955
],
[
0.8185083270072937,
0.6842522621154785,
0.8255563378334045... | {
"a": 6.711860656738281,
"b": 7.332549095153809,
"c": 23.40115737915039,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | Pr7Ru3 | hard_negative | false | null | 0 | 0 | -0.20081 | true | [
"metallic"
] | null |
mp-1197972 | [
"Ga",
"Er"
] | [
68,
68,
68,
68,
68,
68,
68,
68,
68,
68,
68,
68,
31,
31,
31,
31,
31,
31,
31,
31,
31,
31,
31,
31,
31,
31,
31,
31,
31,
31,
31,
31
] | 32 | 2 | [
[
0.3490087687969208,
0.25,
0.5766928195953369
],
[
0.15099124610424042,
0.25,
0.07669280469417572
],
[
0.6509912610054016,
0.75,
0.4233071804046631
],
[
0.8490087389945984,
0.75,
0.9233071804046631
],
[
0.3893217444419861,
0.01067321002483368,... | {
"a": 6.038082599639893,
"b": 9.52351188659668,
"c": 11.290629386901855,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | Er3Ga5 | hard_negative | false | null | 0 | 0.005483 | -0.720091 | true | [
"metallic"
] | null |
mp-1198033 | [
"Tb",
"Pb"
] | [
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82
] | 36 | 2 | [
[
0.6231240034103394,
0.1592320054769516,
0.6199390292167664
],
[
0.12312400341033936,
0.3407680094242096,
0.8800609707832336
],
[
0.37687599658966064,
0.8407679796218872,
0.11993899941444397
],
[
0.8768759965896606,
0.6592320203781128,
0.38006100058555603... | {
"a": 8.25045394897461,
"b": 8.330504417419434,
"c": 15.815902709960938,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | Tb5Pb4 | hard_negative | false | null | 0 | 0 | -0.539964 | true | [
"metallic"
] | null |
mp-1198040 | [
"Er",
"Pb"
] | [
68,
68,
68,
68,
68,
68,
68,
68,
68,
68,
68,
68,
68,
68,
68,
68,
68,
68,
68,
68,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82
] | 36 | 2 | [
[
0.622376024723053,
0.15987899899482727,
0.6201559901237488
],
[
0.12237600237131119,
0.34012100100517273,
0.8798440098762512
],
[
0.3776240050792694,
0.8401209712028503,
0.12015599757432938
],
[
0.877623975276947,
0.6598790287971497,
0.3798440098762512
... | {
"a": 8.138910293579102,
"b": 8.195404052734375,
"c": 15.572827339172363,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 62 | Er5Pb4 | hard_negative | false | null | 0 | 0 | -0.495405 | true | [
"metallic"
] | null |
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