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-1094537 | [
"Mg",
"Sb"
] | [
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
51,
51
] | 12 | 2 | [
[
0.9984869956970215,
0,
0.0030720001086592674
],
[
0.8333010077476501,
0.5,
0.6678749918937683
],
[
0.9437440037727356,
0,
0.3887070119380951
],
[
0.6688219904899597,
0,
0.3315789997577667
],
[
0.7798479795455933,
0.5,
0.0576229989528656
... | {
"a": 11.72810173034668,
"b": 3.258538007736206,
"c": 7.676323890686035,
"alpha": 90,
"beta": 106.5423583984375,
"gamma": 90
} | 8 | Mg5Sb | hard_negative | false | null | 0 | 0.161851 | -0.016537 | true | [
"metallic"
] | null |
mp-1094539 | [
"Mg",
"Sn"
] | [
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
50,
50
] | 12 | 2 | [
[
0.9971010088920593,
0,
0.9952589869499207
],
[
0.8313220143318176,
0.5,
0.6653910279273987
],
[
0.9456570148468018,
0,
0.3952620029449463
],
[
0.6689050197601318,
0,
0.33088499307632446
],
[
0.7797319889068604,
0.5,
0.05721399933099747
... | {
"a": 11.894796371459961,
"b": 3.3808319568634033,
"c": 7.156710147857666,
"alpha": 90,
"beta": 103.77082061767578,
"gamma": 90
} | 8 | Mg5Sn | hard_negative | false | null | 0 | 0.114629 | 0.031079 | true | [
"metallic"
] | null |
mp-1094556 | [
"Mg",
"Sb"
] | [
12,
12,
12,
12,
51,
51,
51,
51,
51,
51,
51,
51
] | 12 | 2 | [
[
0.6187360286712646,
0,
0.7765949964523315
],
[
0.9320039749145508,
0,
0.36001700162887573
],
[
0.11873599886894226,
0.5,
0.7765949964523315
],
[
0.43200400471687317,
0.5,
0.36001700162887573
],
[
0.5195710062980652,
0.5,
0.977156996726989... | {
"a": 11.219816207885742,
"b": 4.342939853668213,
"c": 7.023034572601318,
"alpha": 90,
"beta": 107.16962432861328,
"gamma": 90
} | 8 | MgSb2 | hard_negative | false | null | 0 | 0.104035 | -0.133815 | true | [
"metallic"
] | null |
mp-1094604 | [
"Li",
"Mg"
] | [
3,
3,
3,
3,
12,
12,
12,
12,
12,
12,
12,
12
] | 12 | 2 | [
[
0.6133130788803101,
0,
0.726364254951477
],
[
0.9466296434402466,
0,
0.3933201730251312
],
[
0.11331305652856827,
0.5,
0.726364254951477
],
[
0.44662967324256897,
0.5,
0.3933201730251312
],
[
0.9989622831344604,
0,
0.9932934045791626
],... | {
"a": 11.434113502502441,
"b": 3.1767196655273438,
"c": 7.339676380157471,
"alpha": 90,
"beta": 105.59083557128906,
"gamma": 90
} | 8 | LiMg2 | hard_negative | true | 4 | 0 | 0.030752 | -0.024999 | true | [
"li",
"metallic"
] | null |
mp-1094609 | [
"Li",
"Mg"
] | [
3,
3,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12
] | 12 | 2 | [
[
0.6107648015022278,
0,
0.720947802066803
],
[
0.11076481640338898,
0.5,
0.720947802066803
],
[
0.5017131567001343,
0.5,
0.9952349066734314
],
[
0.8312788605690002,
0.5,
0.6681521534919739
],
[
0.9461629390716553,
0,
0.39418938755989075
... | {
"a": 11.52113151550293,
"b": 3.1523258686065674,
"c": 7.479109287261963,
"alpha": 90,
"beta": 104.55435180664062,
"gamma": 90
} | 8 | LiMg5 | hard_negative | true | 2 | 0 | 0.012276 | -0.015599 | true | [
"li",
"metallic"
] | null |
mp-1094612 | [
"Mg",
"Ga"
] | [
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
31,
31
] | 12 | 2 | [
[
0.502531886100769,
0.5,
0.9815554022789001
],
[
0.8201104998588562,
0.5,
0.6640295386314392
],
[
0.9531511068344116,
0,
0.41227176785469055
],
[
0.6651214361190796,
0,
0.3284837305545807
],
[
0.7805091142654419,
0.5,
0.055156901478767395
... | {
"a": 11.3305082321167,
"b": 3.219677209854126,
"c": 7.200882434844971,
"alpha": 90,
"beta": 105.63956451416016,
"gamma": 90
} | 8 | Mg5Ga | hard_negative | false | null | 0 | 0.058153 | -0.004374 | true | [
"metallic"
] | null |
mp-1094643 | [
"Mg",
"Ga"
] | [
12,
12,
12,
12,
12,
12,
31,
31,
31,
31,
31,
31
] | 12 | 2 | [
[
0.9923539757728577,
0,
0.9761580228805542
],
[
0.9492020010948181,
0,
0.40893998742103577
],
[
0.6705089807510376,
0,
0.334197998046875
],
[
0.49235400557518005,
0.5,
0.9761580228805542
],
[
0.4492020010948181,
0.5,
0.40893998742103577
... | {
"a": 11.201436042785645,
"b": 3.223115921020508,
"c": 6.809034824371338,
"alpha": 90,
"beta": 104.83780670166016,
"gamma": 90
} | 8 | MgGa | hard_negative | false | null | 0 | 0.0758 | -0.057423 | true | [
"metallic"
] | null |
mp-1094649 | [
"Mg",
"Ga"
] | [
12,
12,
12,
12,
12,
12,
12,
12,
31,
31,
31,
31
] | 12 | 2 | [
[
0.5054500102996826,
0.5,
0.9964720010757446
],
[
0.8367109894752502,
0.5,
0.6603019833564758
],
[
0.6587539911270142,
0,
0.34505999088287354
],
[
0.7795339822769165,
0.5,
0.058779001235961914
],
[
0.005450000055134296,
0,
0.99647200107574... | {
"a": 11.429840087890625,
"b": 3.095180034637451,
"c": 7.205706596374512,
"alpha": 90,
"beta": 101.8398666381836,
"gamma": 90
} | 8 | Mg2Ga | hard_negative | false | null | 0 | 0.076329 | -0.040331 | true | [
"metallic"
] | null |
mp-1094662 | [
"Mg",
"Ga"
] | [
12,
12,
31,
31,
31,
31,
31,
31,
31,
31,
31,
31
] | 12 | 2 | [
[
0.38410237431526184,
0,
0.2722606360912323
],
[
0.8841024041175842,
0.5,
0.2722606360912323
],
[
0.006510850042104721,
0,
0.0050239600241184235
],
[
0.1664784550666809,
0.5,
0.33740177750587463
],
[
0.05450056865811348,
0,
0.6158115863800... | {
"a": 10.610788345336914,
"b": 3.3083577156066895,
"c": 6.575379371643066,
"alpha": 90,
"beta": 108.67436218261719,
"gamma": 90
} | 8 | MgGa5 | hard_negative | false | null | 0 | 0.044939 | -0.022538 | true | [
"metallic"
] | null |
mp-1094681 | [
"Mg",
"Bi"
] | [
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
83,
83
] | 12 | 2 | [
[
0.9973049759864807,
0,
0.005535999778658152
],
[
0.8342239856719971,
0.5,
0.666126012802124
],
[
0.941868007183075,
0,
0.38418298959732056
],
[
0.6683520078659058,
0,
0.3294700086116791
],
[
0.7813940048217773,
0.5,
0.061802998185157776
... | {
"a": 11.843161582946777,
"b": 3.3370840549468994,
"c": 7.766963958740234,
"alpha": 90,
"beta": 106.44904327392578,
"gamma": 90
} | 8 | Mg5Bi | hard_negative | false | null | 0 | 0.112416 | 0.037972 | true | [
"metallic"
] | null |
mp-1094685 | [
"Mg",
"Al"
] | [
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
... | 58 | 2 | [
[
0.00006199999916134402,
0,
0.0004400000034365803
],
[
0.4583685100078583,
0.14151950180530548,
0.9981470108032227
],
[
0.6725090146064758,
0.6733030080795288,
0.9991509914398193
],
[
0.6725090146064758,
0.3266969919204712,
0.9991509914398193
],
[
... | {
"a": 10.369172096252441,
"b": 14.965474128723145,
"c": 9.046380996704102,
"alpha": 90,
"beta": 124.58232879638672,
"gamma": 90
} | 8 | Mg16Al13 | hard_negative | false | null | 0 | 0.003992 | -0.005689 | true | [
"metallic"
] | null |
mp-1094700 | [
"Mg",
"Al"
] | [
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
... | 58 | 2 | [
[
0.9982730150222778,
0,
0.9984719753265381
],
[
0.4597935080528259,
0.14351749420166016,
0.0003209999995306134
],
[
0.6717925071716309,
0.6740854978561401,
0.9995099902153015
],
[
0.6717925071716309,
0.32591450214385986,
0.9995099902153015
],
[
0.... | {
"a": 10.444131851196289,
"b": 14.976542472839355,
"c": 9.173633575439453,
"alpha": 90,
"beta": 124.51480102539062,
"gamma": 90
} | 8 | Mg18Al11 | hard_negative | false | null | 0 | 0.011904 | 0.00335 | true | [
"metallic"
] | null |
mp-1094704 | [
"Mg",
"Cd"
] | [
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
48,
48
] | 12 | 2 | [
[
0.5029703378677368,
0.5,
0.9990417957305908
],
[
0.8306763768196106,
0.5,
0.6689988970756531
],
[
0.9467757344245911,
0,
0.39346593618392944
],
[
0.6685929298400879,
0,
0.3348628580570221
],
[
0.7761696577072144,
0.5,
0.051156528294086456... | {
"a": 11.566997528076172,
"b": 3.1242194175720215,
"c": 7.528598308563232,
"alpha": 90,
"beta": 104.70310974121094,
"gamma": 90
} | 8 | Mg5Cd | hard_negative | false | null | 0 | 0.040688 | 0.006776 | true | [
"metallic"
] | null |
mp-1094830 | [
"Mg",
"Cd"
] | [
12,
12,
48,
48,
48,
48,
48,
48,
48,
48,
48,
48
] | 12 | 2 | [
[
0.38780486583709717,
0,
0.2779560685157776
],
[
0.8878048658370972,
0.5,
0.2779560685157776
],
[
0.49449095129966736,
0.5,
0.003293819958344102
],
[
0.16693279147148132,
0.5,
0.33071404695510864
],
[
0.058542270213365555,
0,
0.61270689964... | {
"a": 12.028822898864746,
"b": 3.03983473777771,
"c": 7.558874130249023,
"alpha": 90,
"beta": 110.70188903808594,
"gamma": 90
} | 8 | MgCd5 | hard_negative | false | null | 0 | 0.058992 | 0.027448 | true | [
"metallic"
] | null |
mp-1094871 | [
"Mg",
"Ce"
] | [
58,
58,
58,
58,
58,
58,
58,
58,
58,
58,
12,
12
] | 12 | 2 | [
[
0.4986560046672821,
0.5,
0.016925999894738197
],
[
0.16668599843978882,
0.5,
0.33024001121520996
],
[
0.061921000480651855,
0,
0.6250870227813721
],
[
0.34868499636650085,
0,
0.675616979598999
],
[
0.20461499691009521,
0.5,
0.908167004585... | {
"a": 12.742657661437988,
"b": 3.240433931350708,
"c": 8.017241477966309,
"alpha": 90,
"beta": 109.45984649658203,
"gamma": 90
} | 8 | Ce5Mg | hard_negative | false | null | 0 | 0.092868 | 0.080738 | true | [
"metallic"
] | null |
mp-1094911 | [
"Mg",
"Cd"
] | [
12,
12,
12,
12,
12,
12,
12,
12,
48,
48,
48,
48
] | 12 | 2 | [
[
0.5027490258216858,
0.5,
0.997160017490387
],
[
0.8345574140548706,
0.5,
0.6643418073654175
],
[
0.6622351408004761,
0,
0.3371987044811249
],
[
0.7793253660202026,
0.5,
0.058367811143398285
],
[
0.002749050036072731,
0,
0.997160017490387
... | {
"a": 11.352660179138184,
"b": 3.163804292678833,
"c": 7.403324127197266,
"alpha": 90,
"beta": 103.92777252197266,
"gamma": 90
} | 8 | Mg2Cd | hard_negative | false | null | 0 | 0.053388 | -0.012068 | true | [
"metallic"
] | null |
mp-1096876 | [
"O",
"Cd"
] | [
48,
48,
48,
48,
8,
8,
8,
8,
8,
8,
8,
8
] | 12 | 2 | [
[
0.4699060022830963,
0.3532930016517639,
0.9389899969100952
],
[
0.9699059724807739,
0.14670699834823608,
0.9389899969100952
],
[
0.9699059724807739,
0.8532930016517639,
0.9389899969100952
],
[
0.4699060022830963,
0.6467069983482361,
0.9389899969100952
... | {
"a": 5.42933988571167,
"b": 11.904634475708008,
"c": 3.6523563861846924,
"alpha": 90,
"beta": 131.98410034179688,
"gamma": 90
} | 8 | CdO2 | hard_negative | false | null | 0 | 0.405942 | -0.491493 | true | [
"oxide",
"metallic"
] | null |
mp-1097767 | [
"H",
"S"
] | [
1,
1,
1,
1,
1,
1,
16,
16
] | 8 | 2 | [
[
0.671270489692688,
0.3204675018787384,
0.14134199917316437
],
[
0.17127050459384918,
0.1795324981212616,
0.14134199917316437
],
[
0.6677849888801575,
0,
0.7756189703941345
],
[
0.17127050459384918,
0.820467472076416,
0.14134199917316437
],
[
0.67... | {
"a": 4.200669765472412,
"b": 5.619110107421875,
"c": 3.4724113941192627,
"alpha": 90,
"beta": 126.70935821533203,
"gamma": 90
} | 8 | H3S | hard_negative | false | null | 0 | 0.536586 | 0.40852 | true | [
"sulfide",
"metallic"
] | null |
mp-1100190 | [
"Li",
"Mg"
] | [
3,
3,
3,
3,
3,
3,
12,
12,
12,
12,
12,
12
] | 12 | 2 | [
[
0.6115120053291321,
0,
0.7229530215263367
],
[
0.8327649831771851,
0.5,
0.6653730273246765
],
[
0.9458159804344177,
0,
0.3915809988975525
],
[
0.11151199787855148,
0.5,
0.7229530215263367
],
[
0.33276501297950745,
0,
0.6653730273246765
... | {
"a": 11.232647895812988,
"b": 3.147491931915283,
"c": 7.420962333679199,
"alpha": 90,
"beta": 106.8811264038086,
"gamma": 90
} | 8 | LiMg | hard_negative | true | 6 | 0 | 0.030732 | -0.021481 | true | [
"li",
"metallic"
] | null |
mp-1100191 | [
"Mg",
"Y"
] | [
39,
39,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12
] | 12 | 2 | [
[
0.6125620007514954,
0,
0.7266449928283691
],
[
0.11256200075149536,
0.5,
0.7266449928283691
],
[
0.9958930015563965,
0,
0.002116000046953559
],
[
0.8357260227203369,
0.5,
0.6651819944381714
],
[
0.9409869909286499,
0,
0.3828679919242859
... | {
"a": 12.521368026733398,
"b": 3.2431540489196777,
"c": 7.595640659332275,
"alpha": 90,
"beta": 104.34982299804688,
"gamma": 90
} | 8 | YMg5 | hard_negative | false | null | 0 | 0.078558 | 0.040227 | true | [
"metallic"
] | null |
mp-1104047 | [
"Al",
"Tc"
] | [
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
13,
43,
43,
43,
43,
43,
43
] | 30 | 2 | [
[
0.8493549227714539,
0,
0.4898192584514618
],
[
0.5051605105400085,
0,
0.852877140045166
],
[
0.8471083045005798,
0.4237847924232483,
0.31392529606819153
],
[
0.34710827469825745,
0.07621520012617111,
0.31392529606819153
],
[
0.6766344308853149,
... | {
"a": 5.160781383514404,
"b": 17.479290008544922,
"c": 5.1052141189575195,
"alpha": 90,
"beta": 100.53807067871094,
"gamma": 90
} | 8 | Al4Tc | hard_negative | false | null | 0 | 0 | -0.408431 | true | [
"metallic"
] | null |
mp-1173086 | [
"Nb",
"Sb"
] | [
41,
41,
41,
41,
41,
41,
41,
41,
41,
41,
41,
41,
41,
41,
41,
41,
41,
41,
41,
41,
41,
41,
41,
41,
41,
41,
41,
41,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51,
51
] | 42 | 2 | [
[
0.32798901200294495,
0,
0.13655300438404083
],
[
0.3359520137310028,
0,
0.23425200581550598
],
[
0.1308020055294037,
0.5,
0.27856799960136414
],
[
0.3229005038738251,
0,
0.04020699858665466
],
[
0.42493149638175964,
0.5,
0.421110004186630... | {
"a": 9.219573974609375,
"b": 3.29484224319458,
"c": 28.77582550048828,
"alpha": 90,
"beta": 91.13423156738281,
"gamma": 90
} | 8 | Nb2Sb | hard_negative | false | null | 0 | 0.423161 | 0.071234 | true | [
"metallic"
] | null |
mp-1173571 | [
"F",
"Pb"
] | [
82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9
] | 52 | 2 | [
[
0.0032790000550448895,
0,
0.9974039793014526
],
[
0.3973410129547119,
0,
0.2004079967737198
],
[
0.29763299226760864,
0.5,
0.4089759886264801
],
[
0.4015499949455261,
0,
0.700884997844696
],
[
0.19806499779224396,
0,
0.6086660027503967
... | {
"a": 21.597633361816406,
"b": 4.181180000305176,
"c": 12.091032028198242,
"alpha": 90,
"beta": 106.72618103027344,
"gamma": 90
} | 8 | Pb5F8 | hard_negative | false | null | 0 | 0.180504 | -2.167814 | true | [
"halide",
"metallic"
] | null |
mp-1179073 | [
"O",
"V"
] | [
23,
23,
23,
23,
23,
23,
23,
23,
23,
23,
23,
23,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 44 | 2 | [
[
0.8656139969825745,
0,
0.658689022064209
],
[
0.8923270106315613,
0,
0.07350800186395645
],
[
0.6168090105056763,
0.5,
0.8525959849357605
],
[
0.5920400023460388,
0.5,
0.4488680064678192
],
[
0.9776700139045715,
0,
0.769993007183075
],
... | {
"a": 26.222455978393555,
"b": 4.120786190032959,
"c": 8.591248512268066,
"alpha": 90,
"beta": 97.8070297241211,
"gamma": 90
} | 8 | V3O8 | general_inorganic | false | null | 0.5154 | 1.171587 | -1.013389 | false | [
"oxide"
] | null |
mp-1181264 | [
"Ge",
"Te"
] | [
32,
32,
52,
52
] | 4 | 2 | [
[
0.5063160061836243,
0.5,
0.027848999947309494
],
[
0.006316000130027533,
0,
0.027848999947309494
],
[
0.45168399810791016,
0.5,
0.3671509921550751
],
[
0.9516839981079102,
0,
0.3671509921550751
]
] | {
"a": 14.611794471740723,
"b": 13.383146286010742,
"c": 5.949734210968018,
"alpha": 90,
"beta": 107.1246566772461,
"gamma": 90
} | 8 | GeTe | general_inorganic | false | null | 2.1769 | 0.806517 | 0.771049 | false | null | null |
mp-1182234 | [
"Co",
"Ge"
] | [
27,
27,
27,
27,
27,
27,
27,
27,
32,
32,
32,
32,
32,
32,
32,
32
] | 16 | 2 | [
[
0.7981740236282349,
0,
0.7318480014801025
],
[
0.8341935276985168,
0.5,
0.03141900151968002
],
[
0.3638859987258911,
0,
0.5201810002326965
],
[
0.6234099864959717,
0.5,
0.12934499979019165
],
[
0.2981739938259125,
0.5,
0.7318480014801025
... | {
"a": 12.5170316696167,
"b": 3.798035144805908,
"c": 4.840295791625977,
"alpha": 90,
"beta": 102.43730926513672,
"gamma": 90
} | 8 | CoGe | hard_negative | false | null | 0 | 0.227579 | 0.155105 | true | [
"metallic"
] | null |
mp-1184255 | [
"Mg",
"Er"
] | [
68,
68,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12
] | 12 | 2 | [
[
0.6171421408653259,
0,
0.7326103448867798
],
[
0.11714216321706772,
0.5,
0.7326103448867798
],
[
0.990974485874176,
0,
0.9981889128684998
],
[
0.7822576761245728,
0.5,
0.06819049268960953
],
[
0.6623639464378357,
0,
0.3276047110557556
]... | {
"a": 12.138500213623047,
"b": 3.2404887676239014,
"c": 7.677018165588379,
"alpha": 90,
"beta": 106.06844329833984,
"gamma": 90
} | 8 | ErMg5 | hard_negative | false | null | 0 | 0.059731 | 0.037685 | true | [
"metallic"
] | null |
mp-1184798 | [
"In",
"Pb"
] | [
49,
49,
82,
82
] | 4 | 2 | [
[
0.3281339406967163,
0,
0.24565061926841736
],
[
0.8281339406967163,
0.5,
0.24565061926841736
],
[
0.6718740463256836,
0,
0.7543483972549438
],
[
0.1718740612268448,
0.5,
0.7543483972549438
]
] | {
"a": 5.827981948852539,
"b": 3.458946466445923,
"c": 5.991688251495361,
"alpha": 90,
"beta": 102.49072265625,
"gamma": 90
} | 8 | InPb | hard_negative | false | null | 0 | 0.02719 | 0.02719 | true | [
"metallic"
] | null |
mp-1185809 | [
"Mg",
"Ag"
] | [
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
47,
47
] | 12 | 2 | [
[
0.504901647567749,
0.5,
0.9793634414672852
],
[
0.780321478843689,
0.5,
0.05471628159284592
],
[
0.6649020910263062,
0,
0.32968541979789734
],
[
0.9542720317840576,
0,
0.41463422775268555
],
[
0.8181760311126709,
0.5,
0.6658720970153809
... | {
"a": 11.253721237182617,
"b": 3.15122127532959,
"c": 7.26097297668457,
"alpha": 90,
"beta": 105.0029067993164,
"gamma": 90
} | 8 | Mg5Ag | hard_negative | false | null | 0 | 0.044063 | -0.032743 | true | [
"metallic"
] | null |
mp-1185810 | [
"Mg",
"Hg"
] | [
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
80,
80
] | 12 | 2 | [
[
0.7790041565895081,
0.5,
0.056055448949337006
],
[
0.6668185591697693,
0,
0.33082133531570435
],
[
0.951999306678772,
0,
0.4043309986591339
],
[
0.823330283164978,
0.5,
0.6637358665466309
],
[
0.5022055506706238,
0.5,
0.9888646602630615
... | {
"a": 11.459675788879395,
"b": 3.2441020011901855,
"c": 7.23862361907959,
"alpha": 90,
"beta": 104.66934204101562,
"gamma": 90
} | 8 | Mg5Hg | hard_negative | false | null | 0 | 0.052551 | -0.035467 | true | [
"metallic"
] | null |
mp-1185812 | [
"Mg",
"Ge"
] | [
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
32,
32
] | 12 | 2 | [
[
0.7792909741401672,
0.5,
0.05315199866890907
],
[
0.667559027671814,
0,
0.33062800765037537
],
[
0.9526050090789795,
0,
0.4087510108947754
],
[
0.8218889832496643,
0.5,
0.6665520071983337
],
[
0.5027260184288025,
0.5,
0.9870889782905579
... | {
"a": 11.241698265075684,
"b": 3.2340919971466064,
"c": 7.4569830894470215,
"alpha": 90,
"beta": 105.606201171875,
"gamma": 90
} | 8 | Mg5Ge | hard_negative | false | null | 0 | 0.126615 | -0.045333 | true | [
"metallic"
] | null |
mp-1185827 | [
"Mg",
"In"
] | [
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
49,
49
] | 12 | 2 | [
[
0.9991621375083923,
0,
0.9970880746841431
],
[
0.7788517475128174,
0.5,
0.05670550838112831
],
[
0.6677792072296143,
0,
0.33101457357406616
],
[
0.9470099210739136,
0,
0.3935796618461609
],
[
0.8303723335266113,
0.5,
0.6661667823791504
... | {
"a": 11.552312850952148,
"b": 3.2742063999176025,
"c": 7.426901340484619,
"alpha": 90,
"beta": 105.4940185546875,
"gamma": 90
} | 8 | Mg5In | hard_negative | false | null | 0 | 0.046873 | -0.002609 | true | [
"metallic"
] | null |
mp-1185831 | [
"Mg",
"Pb"
] | [
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
82,
82
] | 12 | 2 | [
[
0.9972625970840454,
0,
0.004896590020507574
],
[
0.7811559438705444,
0.5,
0.059720009565353394
],
[
0.6677327156066895,
0,
0.32841527462005615
],
[
0.9429900646209717,
0,
0.38693904876708984
],
[
0.8334075212478638,
0.5,
0.66484534740448
... | {
"a": 11.990530967712402,
"b": 3.262094736099243,
"c": 7.47102165222168,
"alpha": 90,
"beta": 104.83448791503906,
"gamma": 90
} | 8 | Mg5Pb | hard_negative | false | null | 0 | 0.049903 | 0.031716 | true | [
"metallic"
] | null |
mp-1185834 | [
"Mg",
"Se"
] | [
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
34,
34
] | 12 | 2 | [
[
0.5238620042800903,
0.5,
0.9394140243530273
],
[
0.8396450281143188,
0.5,
0.10467000305652618
],
[
0.6568750143051147,
0,
0.2916699945926666
],
[
0.9501299858093262,
0,
0.4543989896774292
],
[
0.779587984085083,
0.5,
0.6729879975318909
... | {
"a": 10.840935707092285,
"b": 3.4410240650177,
"c": 7.920764446258545,
"alpha": 90,
"beta": 107.56575012207031,
"gamma": 90
} | 8 | Mg5Se | hard_negative | false | null | 0 | 0.244761 | -0.246671 | true | [
"metallic"
] | null |
mp-1185875 | [
"Mg",
"Ge"
] | [
12,
12,
32,
32,
32,
32,
32,
32,
32,
32,
32,
32
] | 12 | 2 | [
[
0.11082900315523148,
0.5,
0.7242349982261658
],
[
0.6108289957046509,
0,
0.7242349982261658
],
[
0.0015660000499337912,
0,
0.005421000067144632
],
[
0.28152599930763245,
0,
0.06476499885320663
],
[
0.1706019937992096,
0.5,
0.3246789872646... | {
"a": 11.046917915344238,
"b": 3.3319239616394043,
"c": 6.82757043838501,
"alpha": 90,
"beta": 109.11392974853516,
"gamma": 90
} | 8 | MgGe5 | hard_negative | false | null | 0 | 0.274251 | 0.188277 | true | [
"metallic"
] | null |
mp-1185903 | [
"Mg",
"In"
] | [
12,
12,
12,
12,
49,
49,
49,
49,
49,
49,
49,
49
] | 12 | 2 | [
[
0.9321066737174988,
0,
0.38999950885772705
],
[
0.6228187680244446,
0,
0.7252992987632751
],
[
0.43210670351982117,
0.5,
0.38999950885772705
],
[
0.12281876802444458,
0.5,
0.7252992987632751
],
[
0.5057886838912964,
0.5,
0.986722469329834... | {
"a": 11.652795791625977,
"b": 3.2351796627044678,
"c": 8.14548397064209,
"alpha": 90,
"beta": 107.43589782714844,
"gamma": 90
} | 8 | MgIn2 | hard_negative | false | null | 0 | 0.064041 | 0.013366 | true | [
"metallic"
] | null |
mp-1185918 | [
"Mg",
"In"
] | [
12,
12,
49,
49,
49,
49,
49,
49,
49,
49,
49,
49
] | 12 | 2 | [
[
0.6103150248527527,
0,
0.7220709919929504
],
[
0.1103150025010109,
0.5,
0.7220709919929504
],
[
0.5025020241737366,
0.5,
0.9915249943733215
],
[
0.7840080261230469,
0.5,
0.055723998695611954
],
[
0.6635280251502991,
0,
0.3291679918766022
... | {
"a": 11.765888214111328,
"b": 3.5245020389556885,
"c": 8.1187162399292,
"alpha": 90,
"beta": 109.3308334350586,
"gamma": 90
} | 8 | MgIn5 | hard_negative | false | null | 0 | 0.065699 | 0.040362 | true | [
"metallic"
] | null |
mp-1185962 | [
"Mg",
"Pb"
] | [
12,
12,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82
] | 12 | 2 | [
[
0.1111999973654747,
0.5,
0.7219089865684509
],
[
0.6111999750137329,
0,
0.7219089865684509
],
[
0.004058999940752983,
0,
0.9927089810371399
],
[
0.27359700202941895,
0,
0.05073799937963486
],
[
0.1652269959449768,
0.5,
0.3362419903278351
... | {
"a": 13.043230056762695,
"b": 3.6769180297851562,
"c": 8.10610580444336,
"alpha": 90,
"beta": 109.25652313232422,
"gamma": 90
} | 8 | MgPb5 | hard_negative | false | null | 0 | 0.039287 | 0.030194 | true | [
"metallic"
] | null |
mp-1187560 | [
"Sn",
"Tl"
] | [
81,
81,
50,
50
] | 4 | 2 | [
[
0.6729289889335632,
0,
0.7569718360900879
],
[
0.17292900383472443,
0.5,
0.7569718360900879
],
[
0.32707297801971436,
0,
0.2430271953344345
],
[
0.8270729780197144,
0.5,
0.2430271953344345
]
] | {
"a": 5.582109451293945,
"b": 3.5547585487365723,
"c": 5.961807727813721,
"alpha": 90,
"beta": 101.885009765625,
"gamma": 90
} | 8 | TlSn | hard_negative | false | null | 0 | 0.132717 | 0.132717 | true | [
"metallic"
] | null |
mp-1187979 | [
"Mg",
"Yb"
] | [
70,
70,
70,
70,
70,
70,
70,
70,
70,
70,
12,
12
] | 12 | 2 | [
[
0.9986748695373535,
0,
0.9946209192276001
],
[
0.7803686261177063,
0.5,
0.057590704411268234
],
[
0.6705533266067505,
0,
0.3284042179584503
],
[
0.9494571089744568,
0,
0.39784541726112366
],
[
0.8255417943000793,
0.5,
0.6650304198265076
... | {
"a": 12.597756385803223,
"b": 3.4988718032836914,
"c": 8.1238374710083,
"alpha": 90,
"beta": 105.42543029785156,
"gamma": 90
} | 8 | Yb5Mg | hard_negative | false | null | 0 | 0.013731 | -0.017244 | true | [
"metallic"
] | null |
mp-1190581 | [
"Si",
"Re"
] | [
75,
75,
75,
75,
75,
75,
75,
75,
75,
75,
75,
75,
75,
75,
75,
75,
14,
14,
14,
14,
14,
14,
14,
14,
14,
14,
14,
14,
14,
14,
14,
14,
14,
14,
14,
14,
14,
14,
14,
14,
14,
14,
14,
14
] | 44 | 2 | [
[
0.8508970141410828,
0,
0.41128501296043396
],
[
0.7257189750671387,
0,
0.5201240181922913
],
[
0.6016715168952942,
0,
0.6333860158920288
],
[
0.9771580100059509,
0.5,
0.7763090133666992
],
[
0.8476340174674988,
0.5,
0.8903040289878845
]... | {
"a": 23.299274444580078,
"b": 3.158900022506714,
"c": 8.343772888183594,
"alpha": 90,
"beta": 92.85424041748047,
"gamma": 90
} | 8 | Re4Si7 | hard_negative | false | null | 0.0503 | 0 | -0.376438 | false | null | null |
mp-1190649 | [
"O",
"Mg"
] | [
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
12,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 48 | 2 | [
[
0.5319259762763977,
0.5,
0.15515199303627014
],
[
0.8131880164146423,
0.5,
0.07318700104951859
],
[
0.6484519839286804,
0.5,
0.5369160175323486
],
[
0.7858359813690186,
0.5,
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[
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} | 8 | MgO | general_inorganic | false | null | 2.7412 | 0.153609 | -2.8847 | false | [
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] | null |
mp-1215779 | [
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} | 8 | Zn10Pd3 | hard_negative | false | null | 0 | 0.00292 | -0.335663 | true | [
"metallic"
] | null |
mp-1215884 | [
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} | 8 | Zn9Fe4 | hard_negative | false | null | 0 | 0.084216 | 0.040988 | true | [
"metallic"
] | null |
mp-1215925 | [
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[
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... | {
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"alpha": 90,
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} | 8 | Zr5Se8 | hard_negative | false | null | 0 | 0.624014 | -0.958147 | true | [
"metallic"
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mp-1216242 | [
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} | 8 | W2N3 | hard_negative | false | null | 0 | 0 | -0.557305 | true | [
"metallic"
] | null |
mp-1216435 | [
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} | 8 | Y11Mg76 | hard_negative | false | null | 0 | 0.030149 | 0.001071 | true | [
"metallic"
] | null |
mp-1216505 | [
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} | 8 | V6Ga7 | hard_negative | false | null | 0 | 0.040851 | -0.220781 | true | [
"metallic"
] | null |
mp-1216618 | [
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"alpha": 90,
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} | 8 | Tm5S7 | hard_negative | false | null | 0 | 0.001487 | -2.360779 | true | [
"sulfide",
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] | null |
mp-1217166 | [
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[
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"alpha": 90,
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} | 8 | Ti5S8 | hard_negative | false | null | 0 | 0.035094 | -1.660959 | true | [
"sulfide",
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] | null |
mp-1219114 | [
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} | 8 | Sn9Au4 | hard_negative | false | null | 0 | 0.169462 | 0.081128 | true | [
"metallic"
] | null |
mp-1219555 | [
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14,
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14,
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14
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[
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} | 8 | Re4Si7 | hard_negative | false | null | 0 | 0.220819 | -0.155619 | true | [
"metallic"
] | null |
mp-1219574 | [
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51,
51,
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51
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[
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"alpha": 90,
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} | 8 | Rb5Sb4 | hard_negative | false | null | 0 | 0 | -0.494078 | true | [
"metallic"
] | null |
mp-1219596 | [
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83,
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] | 18 | 2 | [
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[
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} | 8 | Rb5Bi4 | hard_negative | false | null | 0 | 0.000792 | -0.335694 | true | [
"metallic"
] | null |
mp-1219988 | [
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] | 18 | 2 | [
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[
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... | {
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} | 8 | PrN2 | hard_negative | false | null | 0.0973 | 0.200414 | -0.830116 | false | null | null |
mp-1220310 | [
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[
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} | 8 | NdN2 | hard_negative | false | null | 0 | 0.222247 | -0.86622 | true | [
"metallic"
] | null |
mp-1220533 | [
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... | 64 | 2 | [
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[
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} | 8 | NiBi | hard_negative | false | null | 0 | 0.034479 | 0.034479 | true | [
"metallic"
] | null |
mp-1222194 | [
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... | 62 | 2 | [
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[
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"alpha": 90,
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} | 8 | Mn29H2 | hard_negative | false | null | 0 | 0 | -0.016341 | true | [
"metallic"
] | null |
mp-1222769 | [
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] | 36 | 2 | [
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[
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} | 8 | Li2Ga7 | general_inorganic | true | 8 | 0.1587 | 0 | -0.240265 | false | [
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] | null |
mp-1223399 | [
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] | 48 | 2 | [
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[
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} | 8 | La5S7 | hard_negative | false | null | 0 | 0.250725 | -2.244598 | true | [
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mp-1223503 | [
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[
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} | 8 | K5As4 | hard_negative | false | null | 0 | 0 | -0.42061 | true | [
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mp-1223714 | [
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} | 8 | K5Sb4 | hard_negative | false | null | 0 | 0.00091 | -0.57502 | true | [
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mp-1224231 | [
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} | 8 | In9Ag17 | hard_negative | false | null | 0 | 0.007499 | -0.046289 | true | [
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mp-1224586 | [
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} | 8 | Ge5O11 | hard_negative | false | null | 0 | 0.389574 | -1.632291 | true | [
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mp-1224873 | [
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} | 8 | Ga2Te3 | general_inorganic | false | null | 0.364 | 0.185886 | -0.21635 | false | null | null |
mp-1224909 | [
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} | 8 | Ho3Si4 | hard_negative | false | null | 0 | 0.504098 | -0.286486 | true | [
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mp-1225539 | [
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} | 8 | In23Se28 | hard_negative | false | null | 0 | 0.049616 | -0.631994 | true | [
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mp-1226115 | [
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} | 8 | CoO2 | hard_negative | false | null | 0 | 0.656795 | -0.415637 | true | [
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mp-1226390 | [
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} | 8 | Dy3Si4 | hard_negative | false | null | 0 | 0.044635 | -0.756413 | true | [
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mp-1226590 | [
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} | 8 | Er6Ge11 | hard_negative | false | null | 0 | 0.060741 | -0.571937 | true | [
"metallic"
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mp-1226927 | [
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} | 8 | CeN2 | general_inorganic | false | null | 0.4652 | 0.036453 | -1.127657 | false | null | null |
mp-1227533 | [
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} | 8 | Be10Ru3 | hard_negative | false | null | 0 | 0.165667 | -0.157901 | true | [
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mp-1228676 | [
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} | 8 | B8P | general_inorganic | false | null | 0.1846 | 0.150628 | -0.103102 | false | null | null |
mp-1228677 | [
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17
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] | {
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} | 8 | AuCl | general_inorganic | false | null | 1.296 | 0.256133 | -0.008069 | false | [
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mp-1228685 | [
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} | 8 | B8O | hard_negative | false | null | 0.0003 | 0.022062 | -0.604261 | false | [
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mp-1228763 | [
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] | 52 | 2 | [
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} | 8 | Al8V5 | hard_negative | false | null | 0 | 0.062949 | -0.249978 | true | [
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mp-1232349 | [
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"alpha": 90,
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} | 8 | Cd3Se4 | general_inorganic | false | null | 0.4522 | 0.180892 | -0.570005 | false | null | null |
mp-1232355 | [
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33
] | 32 | 2 | [
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[
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} | 8 | GaAs | hard_negative | false | null | 0 | 0.627894 | 0.181617 | true | [
"metallic"
] | null |
mp-1235059 | [
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[
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} | 8 | LiO8 | hard_negative | true | 2 | 0 | 0 | -0.427069 | true | [
"li",
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mp-1238815 | [
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[
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} | 8 | B4C | general_inorganic | false | null | 3.0415 | 0 | -0.130573 | false | null | null |
mp-1238819 | [
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[
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... | {
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} | 8 | PO2 | hard_negative | false | null | 0 | 0.680087 | -1.605689 | true | [
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mp-1247845 | [
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} | 8 | Al2O3 | hard_negative | false | null | 0 | 1.093809 | -2.332741 | true | [
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mp-1247928 | [
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[
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} | 8 | BCl | hard_negative | false | null | 0.031 | 0.71674 | 0.021633 | false | [
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mp-1255599 | [
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} | 8 | Mg7Si4 | hard_negative | false | null | 0 | 0.224555 | 0.120893 | true | [
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mp-1349242 | [
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... | 96 | 2 | [
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} | 8 | CrO2 | hard_negative | false | null | 0 | 0.177793 | -1.869908 | true | [
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mp-1349907 | [
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} | 8 | CoO2 | hard_negative | false | null | 0 | 0.181286 | -0.891147 | true | [
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mp-1350429 | [
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} | 8 | TiO2 | general_inorganic | false | null | 1.0603 | 0.18555 | -3.322505 | false | [
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mp-1350825 | [
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[
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} | 8 | FeO2 | hard_negative | false | null | 0 | 0.333913 | -1.088663 | true | [
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mp-1350908 | [
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} | 8 | SbO2 | general_inorganic | false | null | 0.7609 | 0.173428 | -1.665579 | false | [
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mp-1350912 | [
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} | 8 | MnO2 | hard_negative | false | null | 0 | 0.262952 | -1.559576 | true | [
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mp-1352191 | [
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} | 8 | SnO2 | general_inorganic | false | null | 0.7578 | 0.222909 | -1.884573 | false | [
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mp-1355192 | [
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} | 8 | FeO2 | hard_negative | false | null | 0 | 0.340509 | -1.082067 | true | [
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mp-1361684 | [
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0.... | {
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"b": 6.018221855163574,
"c": 14.34927749633789,
"alpha": 90,
"beta": 90.14423370361328,
"gamma": 90
} | 8 | VO2 | general_inorganic | false | null | 0.8791 | 0.205286 | -2.317183 | false | [
"oxide"
] | null |
mp-1387939 | [
"F",
"Cr"
] | [
24,
24,
24,
24,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9,
9
] | 20 | 2 | [
[
0,
0.5,
0
],
[
0,
0,
0
],
[
0.5,
0,
0
],
[
0.5,
0.5,
0
],
[
0.6148384809494019,
0.16985149681568146,
0.2296770066022873
],
[
0.38516148924827576,
0.16985149681568146,
0.7703229784965515
],
[
0.8851615190505981,
... | {
"a": 7.784999370574951,
"b": 7.784999370574951,
"c": 6.434284210205078,
"alpha": 90,
"beta": 127.22613525390625,
"gamma": 90
} | 8 | CrF4 | general_inorganic | false | null | 0.3322 | 0.480887 | -2.125863 | false | [
"halide"
] | null |
mp-1393712 | [
"S",
"Ag"
] | [
47,
47,
47,
47,
47,
47,
47,
47,
16,
16,
16,
16
] | 12 | 2 | [
[
0,
0,
0.5
],
[
0.39843299984931946,
0,
0.7299389839172363
],
[
0.6015669703483582,
0,
0.2700609862804413
],
[
0.009058999828994274,
0,
0.9970279932022095
],
[
0.5,
0.5,
0.5
],
[
0.8984330296516418,
0.5,
0.7299389839172363
... | {
"a": 7.035111904144287,
"b": 4.779382228851318,
"c": 7.6796488761901855,
"alpha": 90,
"beta": 90.7589340209961,
"gamma": 90
} | 8 | Ag2S | general_inorganic | false | null | 1.2299 | 0.012108 | -0.106266 | false | [
"sulfide"
] | null |
mp-1421453 | [
"N",
"Sn"
] | [
50,
50,
50,
50,
7,
7,
7,
7
] | 8 | 2 | [
[
0.407056987285614,
0,
0.9433640241622925
],
[
0.836592972278595,
0,
0.45107200741767883
],
[
0.907056987285614,
0.5,
0.9433640241622925
],
[
0.33659300208091736,
0.5,
0.45107200741767883
],
[
0.46188101172447205,
0,
0.5487440228462219
]... | {
"a": 5.5982160568237305,
"b": 4.2429680824279785,
"c": 5.555245876312256,
"alpha": 90,
"beta": 93.31805419921875,
"gamma": 90
} | 8 | SnN | hard_negative | false | null | 0 | 0.31208 | 0.31208 | true | [
"metallic"
] | null |
mp-1546639 | [
"N",
"Mo"
] | [
42,
42,
42,
42,
42,
42,
42,
42,
42,
42,
42,
42,
42,
42,
42,
42,
42,
42,
42,
42,
42,
42,
42,
42,
42,
42,
42,
42,
42,
42,
7,
7,
7,
7,
7,
7,
7,
7,
7,
7,
7,
7,
7,
7,
7,
7,
7,
7,
7,
7,
7,
7,
7,
7,
7,
7,
7,
7... | 62 | 2 | [
[
0.38471245765686035,
0.37935900688171387,
0.23985973000526428
],
[
0.8835906386375427,
0.3794962167739868,
0.24372287094593048
],
[
0.6039518713951111,
0.2538585364818573,
0.23871871829032898
],
[
0.6039518713951111,
0.7461414933204651,
0.238718718290328... | {
"a": 10.006107330322266,
"b": 11.435102462768555,
"c": 7.476401329040527,
"alpha": 90,
"beta": 131.9376220703125,
"gamma": 90
} | 8 | Mo15N16 | hard_negative | false | null | 0 | 0 | -0.523082 | true | [
"metallic"
] | null |
mp-1599 | [
"B",
"N"
] | [
5,
5,
5,
5,
5,
5,
5,
5,
7,
7,
7,
7,
7,
7,
7,
7
] | 16 | 2 | [
[
0.9999169707298279,
0,
0.0011759999906644225
],
[
0.7999889850616455,
0,
0.572297990322113
],
[
0.6342470049858093,
0.5,
0.6194249987602234
],
[
0.9684690237045288,
0.5,
0.5017179846763611
],
[
0.49991700053215027,
0.5,
0.0011759999906644... | {
"a": 13.10898208618164,
"b": 2.511981964111328,
"c": 4.398503303527832,
"alpha": 90,
"beta": 90.5189208984375,
"gamma": 90
} | 8 | BN | general_inorganic | false | null | 1.5671 | 0.13795 | -1.275029 | false | null | null |
mp-1974654 | [
"O",
"V"
] | [
23,
23,
23,
23,
23,
23,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8,
8
] | 18 | 2 | [
[
0.025150319561362267,
0,
0.02373111993074417
],
[
0.47401347756385803,
0.6805956959724426,
0.5041484236717224
],
[
0.47401347756385803,
0.3194043040275574,
0.5041484236717224
],
[
0.5251502990722656,
0.5,
0.02373111993074417
],
[
0.97401344776153... | {
"a": 5.475813388824463,
"b": 8.158409118652344,
"c": 5.183402061462402,
"alpha": 90,
"beta": 119.0971450805664,
"gamma": 90
} | 8 | VO2 | hard_negative | false | null | 0 | 0.089097 | -2.433371 | true | [
"oxide",
"metallic"
] | null |
mp-2766462 | [
"Te",
"Cs"
] | [
55,
55,
55,
55,
55,
55,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52
] | 50 | 2 | [
[
0.5047999024391174,
0.6753430962562561,
0.0015146400546655059
],
[
0.004799920134246349,
0.8246569037437439,
0.0015146400546655059
],
[
0.00005329000123310834,
0.5,
0.9965009093284607
],
[
0.004799920134246349,
0.1753430962562561,
0.0015146400546655059
... | {
"a": 13.75439739227295,
"b": 20.980241775512695,
"c": 9.698479652404785,
"alpha": 90,
"beta": 134.58056640625,
"gamma": 90
} | 8 | Cs3Te22 | hard_negative | false | null | 0 | 0.010982 | -0.276106 | true | [
"metallic"
] | null |
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