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-1208289 | [
"Al",
"Th"
] | [
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
13,
13,
13,
13,
13,
13,
13,
13
] | 40 | 2 | [
[
0.3951590061187744,
0.8951590061187744,
0.8951590061187744
],
[
0.10484100133180618,
0.10484100133180618,
0.3951590061187744
],
[
0.10484100133180618,
0.8951590061187744,
0.6048409938812256
],
[
0.14515900611877441,
0.14515900611877441,
0.854840993881225... | {
"a": 11.347616195678711,
"b": 11.347616195678711,
"c": 11.347616195678711,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 227 | Th4Al | hard_negative | false | null | 0 | 0.88182 | 0.724371 | true | [
"metallic"
] | null |
mp-1208304 | [
"Pd",
"Te"
] | [
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
52,
46,
46,
46,
46,
46,
46,
46,
46,
46,
46,
46,
46,
46,
46,
46,
46,
46,
46,
46,
46,
46,
46,
46,
46,
46,
46,
46,
46,
46,
... | 64 | 2 | [
[
0.125,
0.625,
0.125
],
[
0.375,
0.875,
0.125
],
[
0.375,
0.625,
0.375
],
[
0.125,
0.875,
0.375
],
[
0.5,
0,
0.5
],
[
0.25,
0.25,
0.25
],
[
0.125,
0.125,
0.625
],
[
0.375,
0.375,
0.625
],
... | {
"a": 11.949073791503906,
"b": 11.949073791503906,
"c": 11.949073791503906,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 227 | Te3Pd5 | hard_negative | false | null | 0.0178 | 0.557621 | 0.22621 | false | null | null |
mp-1208307 | [
"Ti",
"Cr"
] | [
22,
22,
22,
22,
22,
22,
22,
22,
22,
22,
22,
22,
22,
22,
22,
22,
22,
22,
22,
22,
22,
22,
22,
22,
22,
22,
22,
22,
22,
22,
22,
22,
24,
24,
24,
24,
24,
24,
24,
24
] | 40 | 2 | [
[
0.3929400146007538,
0.8929399847984314,
0.8929399847984314
],
[
0.10706000030040741,
0.10706000030040741,
0.3929400146007538
],
[
0.10706000030040741,
0.8929399847984314,
0.6070600152015686
],
[
0.1429399996995926,
0.1429399996995926,
0.8570600152015686
... | {
"a": 8.924896240234375,
"b": 8.924896240234375,
"c": 8.924896240234375,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 227 | Ti4Cr | hard_negative | false | null | 0.0039 | 0.808003 | 0.808003 | false | null | null |
mp-1208312 | [
"Os",
"Th"
] | [
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
76,
76,
76,
76,
76,
76,
76,
76
] | 40 | 2 | [
[
0.3871159851551056,
0.887116014957428,
0.887116014957428
],
[
0.11288399994373322,
0.11288399994373322,
0.3871159851551056
],
[
0.11288399994373322,
0.887116014957428,
0.612883985042572
],
[
0.13711600005626678,
0.13711600005626678,
0.862883985042572
]... | {
"a": 11.157383918762207,
"b": 11.157383918762207,
"c": 11.157383918762207,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 227 | Th4Os | hard_negative | false | null | 0 | 0.602451 | 0.351731 | true | [
"metallic"
] | null |
mp-1208347 | [
"Ir",
"Th"
] | [
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
77,
77,
77,
77,
77,
77,
77,
77
] | 40 | 2 | [
[
0.38890400528907776,
0.8889039754867554,
0.8889039754867554
],
[
0.11109600216150284,
0.11109600216150284,
0.38890400528907776
],
[
0.11109600216150284,
0.8889039754867554,
0.6110960245132446
],
[
0.13890400528907776,
0.13890400528907776,
0.8610960245132... | {
"a": 11.145793914794922,
"b": 11.145793914794922,
"c": 11.145793914794922,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 227 | Th4Ir | hard_negative | false | null | 0 | 0.604242 | 0.118434 | true | [
"metallic"
] | null |
mp-1208384 | [
"V",
"Ta"
] | [
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
23,
23,
23,
23,
23,
23,
23,
23
] | 40 | 2 | [
[
0.39645200967788696,
0.896452009677887,
0.896452009677887
],
[
0.10354799777269363,
0.10354799777269363,
0.39645200967788696
],
[
0.10354799777269363,
0.896452009677887,
0.603547990322113
],
[
0.14645199477672577,
0.14645199477672577,
0.853547990322113
... | {
"a": 9.311335563659668,
"b": 9.311335563659668,
"c": 9.311335563659668,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 227 | Ta4V | hard_negative | false | null | 0 | 1.472372 | 1.439091 | true | [
"metallic"
] | null |
mp-1208417 | [
"Be",
"Ta"
] | [
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
4,
4,
4,
4,
4,
4,
4,
4
] | 40 | 2 | [
[
0.38920700550079346,
0.8892070055007935,
0.8892070055007935
],
[
0.11079300194978714,
0.11079300194978714,
0.38920700550079346
],
[
0.11079300194978714,
0.8892070055007935,
0.6107929944992065
],
[
0.13920700550079346,
0.13920700550079346,
0.8607929944992... | {
"a": 9.030579566955566,
"b": 9.030579566955566,
"c": 9.030579566955566,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 227 | Ta4Be | hard_negative | false | null | 0 | 1.184984 | 1.092469 | true | [
"metallic"
] | null |
mp-1208431 | [
"Co",
"Ta"
] | [
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
27,
27,
27,
27,
27,
27,
27,
27
] | 40 | 2 | [
[
0.39119601249694824,
0.8911960124969482,
0.8911960124969482
],
[
0.10880400240421295,
0.10880400240421295,
0.39119601249694824
],
[
0.10880400240421295,
0.8911960124969482,
0.6088039875030518
],
[
0.14119599759578705,
0.14119599759578705,
0.8588039875030... | {
"a": 9.203124046325684,
"b": 9.203124046325684,
"c": 9.203124046325684,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 227 | Ta4Co | hard_negative | false | null | 0 | 1.19082 | 1.049943 | true | [
"metallic"
] | null |
mp-1208441 | [
"Cr",
"Ta"
] | [
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
73,
24,
24,
24,
24,
24,
24,
24,
24
] | 40 | 2 | [
[
0.3933640122413635,
0.8933640122413635,
0.8933640122413635
],
[
0.10663600265979767,
0.10663600265979767,
0.3933640122413635
],
[
0.10663600265979767,
0.8933640122413635,
0.6066359877586365
],
[
0.14336399734020233,
0.14336399734020233,
0.856635987758636... | {
"a": 9.237595558166504,
"b": 9.237595558166504,
"c": 9.237595558166504,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 227 | Ta4Cr | hard_negative | false | null | 0 | 1.413849 | 1.413849 | true | [
"metallic"
] | null |
mp-1208443 | [
"Mg",
"Th"
] | [
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
90,
12,
12,
12,
12,
12,
12,
12,
12
] | 40 | 2 | [
[
0.39805299043655396,
0.898052990436554,
0.898052990436554
],
[
0.10194700211286545,
0.10194700211286545,
0.39805299043655396
],
[
0.10194700211286545,
0.898052990436554,
0.601947009563446
],
[
0.14805300533771515,
0.14805300533771515,
0.851947009563446
... | {
"a": 11.459733963012695,
"b": 11.459733963012695,
"c": 11.459733963012695,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 227 | Th4Mg | hard_negative | false | null | 0 | 0.937223 | 0.937223 | true | [
"metallic"
] | null |
mp-1208452 | [
"Tb",
"Pt"
] | [
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
78,
78,
78,
78,
78,
78,
78,
78
] | 40 | 2 | [
[
0.3899660110473633,
0.8899660110473633,
0.8899660110473633
],
[
0.11003399640321732,
0.11003399640321732,
0.3899660110473633
],
[
0.11003399640321732,
0.8899660110473633,
0.6100339889526367
],
[
0.1399659961462021,
0.1399659961462021,
0.8600339889526367
... | {
"a": 10.984997749328613,
"b": 10.984997749328613,
"c": 10.984997749328613,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 227 | Tb4Pt | hard_negative | false | null | 0 | 0.529333 | -0.099814 | true | [
"metallic"
] | null |
mp-1208454 | [
"Tb",
"Ir"
] | [
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
77,
77,
77,
77,
77,
77,
77,
77
] | 40 | 2 | [
[
0.38847801089286804,
0.8884779810905457,
0.8884779810905457
],
[
0.11152199655771255,
0.11152199655771255,
0.38847801089286804
],
[
0.11152199655771255,
0.8884779810905457,
0.6115220189094543
],
[
0.13847799599170685,
0.13847799599170685,
0.8615220189094... | {
"a": 10.901762008666992,
"b": 10.901762008666992,
"c": 10.901762008666992,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 227 | Tb4Ir | hard_negative | false | null | 0 | 0.558682 | 0.108247 | true | [
"metallic"
] | null |
mp-1208467 | [
"Al",
"Tb"
] | [
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
13,
13,
13,
13,
13,
13,
13,
13
] | 40 | 2 | [
[
0.39326798915863037,
0.8932679891586304,
0.8932679891586304
],
[
0.10673200339078903,
0.10673200339078903,
0.39326798915863037
],
[
0.10673200339078903,
0.8932679891586304,
0.6067320108413696
],
[
0.14326800405979156,
0.14326800405979156,
0.8567320108413... | {
"a": 11.191705703735352,
"b": 11.191705703735352,
"c": 11.191705703735352,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 227 | Tb4Al | hard_negative | false | null | 0 | 0.673616 | 0.46759 | true | [
"metallic"
] | null |
mp-1208469 | [
"Rh",
"Tb"
] | [
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
45,
45,
45,
45,
45,
45,
45,
45
] | 40 | 2 | [
[
0.3887760043144226,
0.8887760043144226,
0.8887760043144226
],
[
0.11122400313615799,
0.11122400313615799,
0.3887760043144226
],
[
0.11122400313615799,
0.8887760043144226,
0.6112239956855774
],
[
0.1387760043144226,
0.1387760043144226,
0.8612239956855774
... | {
"a": 10.792070388793945,
"b": 10.792070388793945,
"c": 10.792070388793945,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 227 | Tb4Rh | hard_negative | false | null | 0 | 0.487629 | 0.083325 | true | [
"metallic"
] | null |
mp-1208483 | [
"Al",
"Sr"
] | [
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
13,
13,
13,
13,
13,
13,
13,
13
] | 40 | 2 | [
[
0.38703298568725586,
0.8870329856872559,
0.8870329856872559
],
[
0.11296699941158295,
0.11296699941158295,
0.38703298568725586
],
[
0.11296699941158295,
0.8870329856872559,
0.6129670143127441
],
[
0.13703300058841705,
0.13703300058841705,
0.8629670143127... | {
"a": 13.038226127624512,
"b": 13.038226127624512,
"c": 13.038226127624512,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 227 | Sr4Al | hard_negative | false | null | 0 | 0.408367 | 0.320051 | true | [
"metallic"
] | null |
mp-1208526 | [
"Mn",
"Tb"
] | [
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
25,
25,
25,
25,
25,
25,
25,
25
] | 40 | 2 | [
[
0.3859519958496094,
0.8859519958496094,
0.3859519958496094
],
[
0.6140480041503906,
0.11404799669981003,
0.3859519958496094
],
[
0.11404799669981003,
0.8859519958496094,
0.11404799669981003
],
[
0.13595199584960938,
0.13595199584960938,
0.364048004150390... | {
"a": 10.532336235046387,
"b": 10.532336235046387,
"c": 10.532336235046387,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 227 | Tb4Mn | hard_negative | false | null | 0 | 0.545015 | 0.545015 | true | [
"metallic"
] | null |
mp-1208529 | [
"Co",
"Tb"
] | [
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
65,
27,
27,
27,
27,
27,
27,
27,
27
] | 40 | 2 | [
[
0.38513100147247314,
0.8851310014724731,
0.38513100147247314
],
[
0.6148689985275269,
0.11486899852752686,
0.38513100147247314
],
[
0.11486899852752686,
0.8851310014724731,
0.11486899852752686
],
[
0.13513100147247314,
0.13513100147247314,
0.364868998527... | {
"a": 10.57505989074707,
"b": 10.57505989074707,
"c": 10.57505989074707,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 227 | Tb4Co | hard_negative | false | null | 0 | 0.412633 | 0.30622 | true | [
"metallic"
] | null |
mp-1208722 | [
"Sr",
"Pd"
] | [
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38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
46,
46,
46,
46,
46,
46,
46,
46
] | 40 | 2 | [
[
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[
0.11940799653530121,
0.11940799653530121,
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[
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0.8805919885635376,
0.6194080114364624
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[
0.1305920034646988,
0.1305920034646988,
0.8694080114364624
... | {
"a": 12.643659591674805,
"b": 12.643659591674805,
"c": 12.643659591674805,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 227 | Sr4Pd | hard_negative | false | null | 0 | 0.218076 | -0.045142 | true | [
"metallic"
] | null |
mp-1208740 | [
"Sr",
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] | [
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
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38,
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38,
38,
38,
38,
38,
38,
38,
78,
78,
78,
78,
78,
78,
78,
78
] | 40 | 2 | [
[
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[
0.12039700150489807,
0.12039700150489807,
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[
0.12039700150489807,
0.8796030282974243,
0.6203969717025757
],
[
0.12960299849510193,
0.12960299849510193,
0.8703969717025... | {
"a": 12.62016773223877,
"b": 12.62016773223877,
"c": 12.62016773223877,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 227 | Sr4Pt | hard_negative | false | null | 0 | 0.255365 | -0.170831 | true | [
"metallic"
] | null |
mp-1208741 | [
"Sr",
"Ir"
] | [
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
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38,
38,
38,
38,
38,
38,
38,
38,
77,
77,
77,
77,
77,
77,
77,
77
] | 40 | 2 | [
[
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[
0.12320535629987717,
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],
[
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0.6232053637504578
],
[
0.12679463624954224,
0.12679463624954224,
0.8732053637504... | {
"a": 12.492305755615234,
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"c": 12.492305755615234,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 227 | Sr4Ir | hard_negative | false | null | 0 | 0.291312 | 0.192291 | true | [
"metallic"
] | null |
mp-1208743 | [
"Sr",
"Rh"
] | [
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
38,
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38,
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38,
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38,
38,
38,
38,
38,
38,
38,
45,
45,
45,
45,
45,
45,
45,
45
] | 40 | 2 | [
[
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],
[
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[
0.12132900208234787,
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0.12132900208234787
],
[
0.12867100536823273,
0.12867100536823273,
0.371329009532... | {
"a": 12.33320426940918,
"b": 12.33320426940918,
"c": 12.33320426940918,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 227 | Sr4Rh | hard_negative | false | null | 0 | 0.158288 | 0.039473 | true | [
"metallic"
] | null |
mp-1208815 | [
"Pb",
"U"
] | [
92,
92,
92,
92,
92,
92,
92,
92,
92,
92,
92,
92,
92,
92,
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92,
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82,
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82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82,
82
] | 48 | 2 | [
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0.375
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[
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0.375
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[
0.625,
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[
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[
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[
0.625,
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0.875
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[
0.625,
0.125,
0.125
],
[
0.375,
0.875,
0... | {
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"b": 12.308051109313965,
"c": 12.308051109313965,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 227 | UPb2 | hard_negative | false | null | 0 | 0.783631 | 0.783631 | true | [
"metallic"
] | null |
mp-1208867 | [
"O",
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] | [
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14,
14,
14,
14,
14,
14,
14,
14,
14,
14,
14,
14,
14,
14,
14,
8,
8,
8,
8,
8,
8,
8,
8
] | 24 | 2 | [
[
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[
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[
0.375,
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[
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[
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[
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0.625
],
[
0.375,
0.125,
0.875
],
[
0.125,
0.375,
0... | {
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"b": 9.357243537902832,
"c": 9.357243537902832,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 227 | Si2O | hard_negative | false | null | 0 | 2.32426 | 0.687845 | true | [
"oxide",
"silicate",
"metallic"
] | null |
mp-1208890 | [
"Al",
"Sm"
] | [
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62,
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62,
62,
62,
62,
62,
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13,
13,
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13,
13,
13,
13,
13
] | 40 | 2 | [
[
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[
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[
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0.6070250272750854
],
[
0.14297500252723694,
0.14297500252723694,
0.8570250272750... | {
"a": 11.355775833129883,
"b": 11.355775833129883,
"c": 11.355775833129883,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 227 | Sm4Al | hard_negative | false | null | 0 | 0.644482 | 0.454287 | true | [
"metallic"
] | null |
mp-1208934 | [
"Ru",
"Sm"
] | [
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62,
62,
62,
62,
62,
62,
62,
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62,
62,
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62,
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62,
44,
44,
44,
44,
44,
44,
44,
44
] | 40 | 2 | [
[
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],
[
0.11308000236749649,
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],
[
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0.6130800247192383
],
[
0.1369200050830841,
0.1369200050830841,
0.8630800247192383
... | {
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"b": 10.960186004638672,
"c": 10.960186004638672,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 227 | Sm4Ru | hard_negative | false | null | 0 | 0.452123 | 0.247305 | true | [
"metallic"
] | null |
mp-1208942 | [
"Sm",
"Pt"
] | [
62,
62,
62,
62,
62,
62,
62,
62,
62,
62,
62,
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62,
62,
62,
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62,
62,
78,
78,
78,
78,
78,
78,
78,
78
] | 40 | 2 | [
[
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],
[
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],
[
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0.6104159951210022
],
[
0.1395840048789978,
0.1395840048789978,
0.8604159951210022
]... | {
"a": 11.163769721984863,
"b": 11.163769721984863,
"c": 11.163769721984863,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 227 | Sm4Pt | hard_negative | false | null | 0 | 0.489342 | -0.023285 | true | [
"metallic"
] | null |
mp-1208944 | [
"Rh",
"Sm"
] | [
62,
62,
62,
62,
62,
62,
62,
62,
62,
62,
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62,
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62,
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62,
45,
45,
45,
45,
45,
45,
45,
45
] | 40 | 2 | [
[
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],
[
0.11129900068044662,
0.11129900068044662,
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],
[
0.11129900068044662,
0.8887010216712952,
0.6112989783287048
],
[
0.13870100677013397,
0.13870100677013397,
0.861298978328704... | {
"a": 10.982474327087402,
"b": 10.982474327087402,
"c": 10.982474327087402,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 227 | Sm4Rh | hard_negative | false | null | 0 | 0.450429 | 0.086373 | true | [
"metallic"
] | null |
mp-1209069 | [
"Sc",
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] | [
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
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21,
21,
21,
21,
21,
21,
21,
77,
77,
77,
77,
77,
77,
77,
77
] | 40 | 2 | [
[
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],
[
0.6101409792900085,
0.11014100164175034,
0.38985899090766907
],
[
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0.8898590207099915,
0.11014100164175034
],
[
0.13985900580883026,
0.13985900580883026,
0.360141009092... | {
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"b": 10.151169776916504,
"c": 10.151169776916504,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 227 | Sc4Ir | hard_negative | false | null | 0 | 0.660407 | 0.131465 | true | [
"metallic"
] | null |
mp-1209073 | [
"Sc",
"Co"
] | [
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
27,
27,
27,
27,
27,
27,
27,
27
] | 40 | 2 | [
[
0.38649898767471313,
0.8864989876747131,
0.8864989876747131
],
[
0.11350099742412567,
0.11350099742412567,
0.38649898767471313
],
[
0.11350099742412567,
0.8864989876747131,
0.6135010123252869
],
[
0.13649900257587433,
0.13649900257587433,
0.8635010123252... | {
"a": 9.826680183410645,
"b": 9.826680183410645,
"c": 9.826680183410645,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 227 | Sc4Co | hard_negative | false | null | 0 | 0.466935 | 0.350433 | true | [
"metallic"
] | null |
mp-1209093 | [
"Mg",
"Sm"
] | [
62,
62,
62,
62,
62,
62,
62,
62,
62,
62,
62,
62,
62,
62,
62,
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62,
62,
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62,
62,
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62,
62,
62,
62,
62,
62,
62,
12,
12,
12,
12,
12,
12,
12,
12
] | 40 | 2 | [
[
0.39610201120376587,
0.8961020112037659,
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],
[
0.6038979887962341,
0.10389800369739532,
0.39610201120376587
],
[
0.10389800369739532,
0.8961020112037659,
0.10389800369739532
],
[
0.14610199630260468,
0.14610199630260468,
0.353897988796... | {
"a": 11.378647804260254,
"b": 11.378647804260254,
"c": 11.378647804260254,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 227 | Sm4Mg | hard_negative | false | null | 0 | 0.650877 | 0.617069 | true | [
"metallic"
] | null |
mp-1209129 | [
"Al",
"Sc"
] | [
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
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21,
21,
21,
21,
21,
21,
21,
13,
13,
13,
13,
13,
13,
13,
13
] | 40 | 2 | [
[
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],
[
0.6036339998245239,
0.10363399982452393,
0.3963660001754761
],
[
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0.8963660001754761,
0.10363399982452393
],
[
0.14636600017547607,
0.14636600017547607,
0.353633999824523... | {
"a": 10.314501762390137,
"b": 10.314501762390137,
"c": 10.314501762390137,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 227 | Sc4Al | hard_negative | false | null | 0 | 0.735914 | 0.50486 | true | [
"metallic"
] | null |
mp-1209175 | [
"Sc",
"Fe"
] | [
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
26,
26,
26,
26,
26,
26,
26,
26
] | 40 | 2 | [
[
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],
[
0.1134520024061203,
0.1134520024061203,
0.3865480124950409
],
[
0.1134520024061203,
0.8865479826927185,
0.6134520173072815
],
[
0.1365479975938797,
0.1365479975938797,
0.8634520173072815
]... | {
"a": 9.75242805480957,
"b": 9.75242805480957,
"c": 9.75242805480957,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 227 | Sc4Fe | hard_negative | false | null | 0 | 0.487405 | 0.405222 | true | [
"metallic"
] | null |
mp-1209426 | [
"Pr",
"Pt"
] | [
59,
59,
59,
59,
59,
59,
59,
59,
59,
59,
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59,
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59,
59,
59,
78,
78,
78,
78,
78,
78,
78,
78
] | 40 | 2 | [
[
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],
[
0.11051300168037415,
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],
[
0.11051300168037415,
0.8894870281219482,
0.6105129718780518
],
[
0.13948699831962585,
0.13948699831962585,
0.8605129718780... | {
"a": 11.40470027923584,
"b": 11.40470027923584,
"c": 11.40470027923584,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 227 | Pr4Pt | hard_negative | false | null | 0 | 0.460137 | -0.014313 | true | [
"metallic"
] | null |
mp-1209438 | [
"Rb",
"Bi"
] | [
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37,
37,
37,
37,
37,
37,
37,
37,
37,
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37,
37,
37,
37,
37,
37,
37,
83,
83,
83,
83,
83,
83,
83,
83
] | 40 | 2 | [
[
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],
[
0.6189299821853638,
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],
[
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0.11892999708652496
],
[
0.13107000291347504,
0.13107000291347504,
0.368930011987... | {
"a": 15.223841667175293,
"b": 15.223841667175293,
"c": 15.223841667175293,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 227 | Rb4Bi | hard_negative | false | null | 0 | 0.287011 | 0.031694 | true | [
"metallic"
] | null |
mp-1209468 | [
"Rh",
"Pr"
] | [
59,
59,
59,
59,
59,
59,
59,
59,
59,
59,
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59,
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59,
59,
59,
45,
45,
45,
45,
45,
45,
45,
45
] | 40 | 2 | [
[
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],
[
0.11195600032806396,
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],
[
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0.888043999671936,
0.611956000328064
],
[
0.13804399967193604,
0.13804399967193604,
0.861956000328064
... | {
"a": 11.249028205871582,
"b": 11.249028205871582,
"c": 11.249028205871582,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 227 | Pr4Rh | hard_negative | false | null | 0 | 0.413959 | 0.103438 | true | [
"metallic"
] | null |
mp-1209484 | [
"Pr",
"Re"
] | [
59,
59,
59,
59,
59,
59,
59,
59,
59,
59,
59,
59,
59,
59,
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59,
59,
59,
59,
59,
59,
59,
59,
59,
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59,
59,
59,
59,
59,
59,
59,
75,
75,
75,
75,
75,
75,
75,
75
] | 40 | 2 | [
[
0.3862519860267639,
0.8862519860267639,
0.8862519860267639
],
[
0.11374799907207489,
0.11374799907207489,
0.3862519860267639
],
[
0.11374799907207489,
0.8862519860267639,
0.6137480139732361
],
[
0.1362520009279251,
0.1362520009279251,
0.8637480139732361
... | {
"a": 11.3016357421875,
"b": 11.3016357421875,
"c": 11.3016357421875,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 227 | Pr4Re | hard_negative | false | null | 0 | 0.637924 | 0.637924 | true | [
"metallic"
] | null |
mp-1209511 | [
"Pr",
"Os"
] | [
59,
59,
59,
59,
59,
59,
59,
59,
59,
59,
59,
59,
59,
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59,
59,
59,
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59,
59,
59,
76,
76,
76,
76,
76,
76,
76,
76
] | 40 | 2 | [
[
0.38644400238990784,
0.8864439725875854,
0.8864439725875854
],
[
0.11355599761009216,
0.11355599761009216,
0.38644400238990784
],
[
0.11355599761009216,
0.8864439725875854,
0.6135560274124146
],
[
0.13644400238990784,
0.13644400238990784,
0.8635560274124... | {
"a": 11.357935905456543,
"b": 11.357935905456543,
"c": 11.357935905456543,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 227 | Pr4Os | hard_negative | false | null | 0 | 0.482231 | 0.398544 | true | [
"metallic"
] | null |
mp-1209568 | [
"Ru",
"Pr"
] | [
59,
59,
59,
59,
59,
59,
59,
59,
59,
59,
59,
59,
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59,
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59,
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59,
44,
44,
44,
44,
44,
44,
44,
44
] | 40 | 2 | [
[
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[
0.11322999745607376,
0.11322999745607376,
0.38677000999450684
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[
0.11322999745607376,
0.8867700099945068,
0.6132299900054932
],
[
0.13676999509334564,
0.13676999509334564,
0.8632299900054... | {
"a": 11.193947792053223,
"b": 11.193947792053223,
"c": 11.193947792053223,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 227 | Pr4Ru | hard_negative | false | null | 0 | 0.413377 | 0.277065 | true | [
"metallic"
] | null |
mp-1209640 | [
"Ni",
"Tm"
] | [
69,
69,
69,
69,
69,
69,
69,
69,
69,
69,
69,
69,
69,
69,
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69,
69,
69,
69,
69,
69,
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69,
69,
69,
69,
69,
69,
69,
28,
28,
28,
28,
28,
28,
28,
28
] | 40 | 2 | [
[
0.3875400125980377,
0.8875399827957153,
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[
0.6124600172042847,
0.11246000230312347,
0.3875400125980377
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[
0.11246000230312347,
0.8875399827957153,
0.11246000230312347
],
[
0.13753999769687653,
0.13753999769687653,
0.362459987401962... | {
"a": 10.457974433898926,
"b": 10.457974433898926,
"c": 10.457974433898926,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 227 | Tm4Ni | hard_negative | false | null | 0 | 0.465763 | 0.249634 | true | [
"metallic"
] | null |
mp-1209721 | [
"Pr",
"Ir"
] | [
59,
59,
59,
59,
59,
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59,
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59,
77,
77,
77,
77,
77,
77,
77,
77
] | 40 | 2 | [
[
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[
0.11218299716711044,
0.11218299716711044,
0.38781699538230896
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[
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0.8878170251846313,
0.6121829748153687
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[
0.13781699538230896,
0.13781699538230896,
0.8621829748153... | {
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"b": 11.347488403320312,
"c": 11.347488403320312,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 227 | Pr4Ir | hard_negative | false | null | 0 | 0.470065 | 0.086873 | true | [
"metallic"
] | null |
mp-1209724 | [
"Al",
"Pr"
] | [
59,
59,
59,
59,
59,
59,
59,
59,
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59,
59,
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59,
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59,
13,
13,
13,
13,
13,
13,
13,
13
] | 40 | 2 | [
[
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[
0.10717900097370148,
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0.3928210139274597
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[
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0.8928210139274597,
0.6071789860725403
],
[
0.14282099902629852,
0.14282099902629852,
0.857178986072540... | {
"a": 11.543062210083008,
"b": 11.543062210083008,
"c": 11.543062210083008,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 227 | Pr4Al | hard_negative | false | null | 0 | 0.607066 | 0.430618 | true | [
"metallic"
] | null |
mp-1209749 | [
"Mg",
"Pr"
] | [
59,
59,
59,
59,
59,
59,
59,
59,
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59,
59,
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59,
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59,
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59,
12,
12,
12,
12,
12,
12,
12,
12
] | 40 | 2 | [
[
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[
0.6042680144309998,
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[
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0.10426799952983856
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[
0.14573200047016144,
0.14573200047016144,
0.354268014430... | {
"a": 11.576193809509277,
"b": 11.576193809509277,
"c": 11.576193809509277,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 227 | Pr4Mg | hard_negative | false | null | 0 | 0.622693 | 0.586493 | true | [
"metallic"
] | null |
mp-1209780 | [
"Co",
"Pu"
] | [
94,
94,
94,
94,
94,
94,
94,
94,
94,
94,
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94,
94,
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94,
94,
94,
27,
27,
27,
27,
27,
27,
27,
27
] | 40 | 2 | [
[
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[
0.6100419759750366,
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],
[
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0.8899580240249634,
0.11004199832677841
],
[
0.139957994222641,
0.139957994222641,
0.360042005777359
],
... | {
"a": 10.075881958007812,
"b": 10.075881958007812,
"c": 10.075881958007812,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 227 | Pu4Co | hard_negative | false | null | 0 | 0.448096 | 0.418183 | true | [
"metallic"
] | null |
mp-1209804 | [
"Fe",
"Pr"
] | [
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59,
59,
59,
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59,
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59,
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59,
26,
26,
26,
26,
26,
26,
26,
26
] | 40 | 2 | [
[
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],
[
0.11663699895143509,
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0.3833630084991455
],
[
0.11663699895143509,
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0.6166369915008545
],
[
0.13336299359798431,
0.13336299359798431,
0.866636991500854... | {
"a": 11.07431411743164,
"b": 11.07431411743164,
"c": 11.07431411743164,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 227 | Pr4Fe | hard_negative | false | null | 0 | 0.446596 | 0.446596 | true | [
"metallic"
] | null |
mp-1209844 | [
"Ir",
"Pu"
] | [
94,
94,
94,
94,
94,
94,
94,
94,
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94,
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94,
94,
94,
94,
94,
94,
94,
77,
77,
77,
77,
77,
77,
77,
77
] | 40 | 2 | [
[
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],
[
0.10716100037097931,
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],
[
0.10716100037097931,
0.8928390145301819,
0.6071609854698181
],
[
0.1428389996290207,
0.1428389996290207,
0.8571609854698181
... | {
"a": 10.509260177612305,
"b": 10.509260177612305,
"c": 10.509260177612305,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 227 | Pu4Ir | hard_negative | false | null | 0 | 0.751277 | 0.678935 | true | [
"metallic"
] | null |
mp-1209855 | [
"Mn",
"Pu"
] | [
94,
94,
94,
94,
94,
94,
94,
94,
94,
94,
94,
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94,
94,
94,
94,
94,
94,
94,
25,
25,
25,
25,
25,
25,
25,
25
] | 40 | 2 | [
[
0.40233099460601807,
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],
[
0.09766899794340134,
0.09766899794340134,
0.40233099460601807
],
[
0.09766899794340134,
0.9023309946060181,
0.5976690053939819
],
[
0.15233099460601807,
0.15233099460601807,
0.8476690053939... | {
"a": 9.117921829223633,
"b": 9.117921829223633,
"c": 9.117921829223633,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 227 | Pu4Mn | hard_negative | false | null | 0 | 1.042474 | 1.042474 | true | [
"metallic"
] | null |
mp-1209953 | [
"Ru",
"Nd"
] | [
60,
60,
60,
60,
60,
60,
60,
60,
60,
60,
60,
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60,
60,
60,
60,
60,
60,
60,
44,
44,
44,
44,
44,
44,
44,
44
] | 40 | 2 | [
[
0.3867740035057068,
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],
[
0.11322599649429321,
0.11322599649429321,
0.3867740035057068
],
[
0.11322599649429321,
0.8867740035057068,
0.6132259964942932
],
[
0.1367740035057068,
0.1367740035057068,
0.8632259964942932
... | {
"a": 11.108965873718262,
"b": 11.108965873718262,
"c": 11.108965873718262,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 227 | Nd4Ru | hard_negative | false | null | 0 | 0.427301 | 0.261409 | true | [
"metallic"
] | null |
mp-1209964 | [
"Al",
"Nd"
] | [
60,
60,
60,
60,
60,
60,
60,
60,
60,
60,
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60,
60,
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60,
60,
60,
60,
60,
60,
13,
13,
13,
13,
13,
13,
13,
13
] | 40 | 2 | [
[
0.3935660123825073,
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],
[
0.10643400251865387,
0.10643400251865387,
0.3935660123825073
],
[
0.10643400251865387,
0.3935660123825073,
0.10643400251865387
],
[
0.6435660123825073,
0.14356599748134613,
0.356433987617492... | {
"a": 11.44465446472168,
"b": 11.44465446472168,
"c": 11.44465446472168,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 227 | Nd4Al | hard_negative | false | null | 0 | 0.618213 | 0.434978 | true | [
"metallic"
] | null |
mp-1209970 | [
"Nd",
"Ir"
] | [
60,
60,
60,
60,
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60,
60,
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60,
60,
60,
60,
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60,
60,
60,
60,
60,
60,
60,
77,
77,
77,
77,
77,
77,
77,
77
] | 40 | 2 | [
[
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],
[
0.11182700097560883,
0.11182700097560883,
0.38817301392555237
],
[
0.11182700097560883,
0.88817298412323,
0.61182701587677
],
[
0.13817299902439117,
0.13817299902439117,
0.86182701587677
],
... | {
"a": 11.256086349487305,
"b": 11.256086349487305,
"c": 11.256086349487305,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 227 | Nd4Ir | hard_negative | false | null | 0 | 0.486762 | 0.073091 | true | [
"metallic"
] | null |
mp-1209997 | [
"Nd",
"Pt"
] | [
60,
60,
60,
60,
60,
60,
60,
60,
60,
60,
60,
60,
60,
60,
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60,
60,
60,
60,
60,
60,
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60,
60,
60,
60,
60,
60,
60,
78,
78,
78,
78,
78,
78,
78,
78
] | 40 | 2 | [
[
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0.88919997215271,
0.88919997215271
],
[
0.11079999804496765,
0.11079999804496765,
0.38920000195503235
],
[
0.11079999804496765,
0.88919997215271,
0.61080002784729
],
[
0.13920000195503235,
0.13920000195503235,
0.86080002784729
],
... | {
"a": 11.309036254882812,
"b": 11.309036254882812,
"c": 11.309036254882812,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 227 | Nd4Pt | hard_negative | false | null | 0 | 0.466947 | -0.025296 | true | [
"metallic"
] | null |
mp-1210078 | [
"Cr",
"Nb"
] | [
41,
41,
41,
41,
41,
41,
41,
41,
41,
41,
41,
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41,
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41,
41,
41,
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41,
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41,
41,
41,
41,
41,
41,
41,
24,
24,
24,
24,
24,
24,
24,
24
] | 40 | 2 | [
[
0.39372900128364563,
0.8937289714813232,
0.8937289714813232
],
[
0.10627099871635437,
0.10627099871635437,
0.39372900128364563
],
[
0.10627099871635437,
0.8937289714813232,
0.6062710285186768
],
[
0.14372900128364563,
0.14372900128364563,
0.8562710285186... | {
"a": 9.23653793334961,
"b": 9.23653793334961,
"c": 9.23653793334961,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 227 | Nb4Cr | hard_negative | false | null | 0 | 1.242221 | 1.242221 | true | [
"metallic"
] | null |
mp-1210089 | [
"Na",
"Tl"
] | [
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11,
11,
11,
11,
11,
11,
11,
11,
11,
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81,
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81,
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81,
81,
81,
81,
81,
81,
81,
81,
81,
81,
81,
81,
81,
81,
81
] | 48 | 2 | [
[
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0.125
],
[
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0.125
],
[
0.375,
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],
[
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[
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[
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0.625
],
[
0.375,
0.125,
0.875
],
[
0.125,
0.375,
0... | {
"a": 11.531516075134277,
"b": 11.531516075134277,
"c": 11.531516075134277,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 227 | NaTl2 | hard_negative | false | null | 0 | 0.108127 | -0.012088 | true | [
"metallic"
] | null |
mp-1210090 | [
"Rh",
"Nd"
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60,
60,
60,
60,
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60,
60,
45,
45,
45,
45,
45,
45,
45,
45
] | 40 | 2 | [
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[
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0.8620730042457... | {
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"alpha": 90,
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"gamma": 90
} | 227 | Nd4Rh | hard_negative | false | null | 0 | 0.420391 | 0.089173 | true | [
"metallic"
] | null |
mp-1210095 | [
"Mg",
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] | [
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60,
12,
12,
12,
12,
12,
12,
12,
12
] | 40 | 2 | [
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[
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"alpha": 90,
"beta": 90,
"gamma": 90
} | 227 | Nd4Mg | hard_negative | false | null | 0 | 0.626393 | 0.588879 | true | [
"metallic"
] | null |
mp-1210116 | [
"Co",
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] | [
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60,
60,
27,
27,
27,
27,
27,
27,
27,
27
] | 24 | 2 | [
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[
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[
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0... | {
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"alpha": 90,
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"gamma": 90
} | 227 | Nd2Co | hard_negative | false | null | 0 | 1.290024 | 1.280145 | true | [
"metallic"
] | null |
mp-1210139 | [
"Fe",
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93,
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93,
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93,
26,
26,
26,
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26,
26,
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26
] | 40 | 2 | [
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[
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[
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0.853595972061157... | {
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"alpha": 90,
"beta": 90,
"gamma": 90
} | 227 | Np4Fe | hard_negative | false | null | 0 | 0.828854 | 0.828854 | true | [
"metallic"
] | null |
mp-1210171 | [
"Ni",
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94,
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94,
28,
28,
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28
] | 40 | 2 | [
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[
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[
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[
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... | {
"a": 10.221796035766602,
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"alpha": 90,
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"gamma": 90
} | 227 | Pu4Ni | hard_negative | false | null | 0 | 0.874364 | 0.840945 | true | [
"metallic"
] | null |
mp-1210178 | [
"Fe",
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] | [
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26,
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26,
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26,
26
] | 40 | 2 | [
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[
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[
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"alpha": 90,
"beta": 90,
"gamma": 90
} | 227 | Nd4Fe | hard_negative | false | null | 0 | 0.429296 | 0.429296 | true | [
"metallic"
] | null |
mp-1210201 | [
"Ni",
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] | [
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28,
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28,
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28,
28,
28
] | 40 | 2 | [
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[
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[
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0.363703012466... | {
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"alpha": 90,
"beta": 90,
"gamma": 90
} | 227 | Nd4Ni | hard_negative | false | null | 0 | 0.354059 | 0.218724 | true | [
"metallic"
] | null |
mp-1210247 | [
"Na",
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] | [
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79,
79,
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79
] | 40 | 2 | [
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... | {
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"alpha": 90,
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"gamma": 90
} | 227 | Na4Au | hard_negative | false | null | 0 | 0.206213 | 0.027822 | true | [
"metallic"
] | null |
mp-1210253 | [
"Na",
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] | [
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78,
78,
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78,
78,
78,
78
] | 40 | 2 | [
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[
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0.8631539940834... | {
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"b": 11.45553207397461,
"c": 11.45553207397461,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 227 | Na4Pt | hard_negative | false | null | 0 | 0.362866 | 0.22448 | true | [
"metallic"
] | null |
mp-1210260 | [
"Co",
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] | [
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27,
27,
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27,
27,
27
] | 40 | 2 | [
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],
[
0.8845566511154175,
0.11544333398342133,
0.11544333398... | {
"a": 10.950291633605957,
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"c": 10.950291633605957,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 227 | Nd4Co | hard_negative | false | null | 0 | 0.351515 | 0.345588 | true | [
"metallic"
] | null |
mp-1210273 | [
"Rh",
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] | [
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94,
45,
45,
45,
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45,
45,
45,
45
] | 40 | 2 | [
[
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],
[
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[
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],
[
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0.14339099824428558,
0.356608986854553... | {
"a": 10.345755577087402,
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"c": 10.345755577087402,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 227 | Pu4Rh | hard_negative | false | null | 0 | 0.758393 | 0.657976 | true | [
"metallic"
] | null |
mp-1210281 | [
"Na",
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] | [
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47,
47,
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47
] | 40 | 2 | [
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[
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],
[
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],
[
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0.14007499814033508,
0.859924972057342... | {
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"alpha": 90,
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"gamma": 90
} | 227 | Na4Ag | hard_negative | false | null | 0 | 0.198044 | 0.17447 | true | [
"metallic"
] | null |
mp-1210348 | [
"Na",
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] | [
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49,
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49,
49,
49,
49,
49,
49,
49,
49,
49,
49
] | 48 | 2 | [
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[
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[
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"a": 11.39865779876709,
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"alpha": 90,
"beta": 90,
"gamma": 90
} | 227 | NaIn2 | hard_negative | false | null | 0 | 0.178449 | -0.008708 | true | [
"metallic"
] | null |
mp-1210471 | [
"Au",
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] | [
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82,
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82,
82,
79,
79,
79,
79,
79,
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79
] | 40 | 2 | [
[
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],
[
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],
[
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],
[
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0.14663000404834747,
0.853370010852813... | {
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"c": 11.113982200622559,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 227 | Pb4Au | hard_negative | false | null | 0 | 0.276472 | 0.222944 | true | [
"metallic"
] | null |
mp-1210553 | [
"Al",
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] | [
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13,
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13,
13
] | 40 | 2 | [
[
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[
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],
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],
[
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0.855602025985717... | {
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"c": 10.909686088562012,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 227 | Lu4Al | hard_negative | false | null | 0 | 0.697365 | 0.508283 | true | [
"metallic"
] | null |
mp-1210563 | [
"Lu",
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] | [
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77,
77,
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77,
77,
77
] | 40 | 2 | [
[
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],
[
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],
[
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],
[
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0.8611119985580... | {
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"c": 10.625247955322266,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 227 | Lu4Ir | hard_negative | false | null | 0 | 0.618149 | 0.09324 | true | [
"metallic"
] | null |
mp-1210664 | [
"Co",
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] | [
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27,
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27
] | 40 | 2 | [
[
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],
[
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[
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],
[
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],
[
... | {
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"alpha": 90,
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"gamma": 90
} | 227 | Lu4Co | hard_negative | false | null | 0 | 0.47037 | 0.302961 | true | [
"metallic"
] | null |
mp-1210757 | [
"Rh",
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] | [
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45,
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45
] | 40 | 2 | [
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],
[
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],
[
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[
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"c": 10.564149856567383,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 227 | Lu4Rh | hard_negative | false | null | 0 | 0.501974 | 0.045284 | true | [
"metallic"
] | null |
mp-1210792 | [
"Li",
"Al"
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3,
3,
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[
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"alpha": 90,
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"gamma": 90
} | 227 | Li2Al | hard_negative | true | 32 | 0 | 0.328839 | 0.147406 | true | [
"li",
"metallic"
] | null |
mp-1210799 | [
"Li",
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] | 48 | 2 | [
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... | {
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"alpha": 90,
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"gamma": 90
} | 227 | Li2Cd | hard_negative | true | 32 | 0 | 0.186913 | -0.025925 | true | [
"li",
"metallic"
] | null |
mp-1210828 | [
"Ni",
"Lu"
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28,
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] | 40 | 2 | [
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[
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"alpha": 90,
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} | 227 | Lu4Ni | hard_negative | false | null | 0 | 0.447284 | 0.248175 | true | [
"metallic"
] | null |
mp-1210831 | [
"Fe",
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26
] | 40 | 2 | [
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[
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"alpha": 90,
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} | 227 | Lu4Fe | hard_negative | false | null | 0 | 0.48809 | 0.435648 | true | [
"metallic"
] | null |
mp-1210855 | [
"Mg",
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29,
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29
] | 40 | 2 | [
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[
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"alpha": 90,
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"gamma": 90
} | 227 | Mg4Cu | hard_negative | false | null | 0 | 0.404781 | 0.352292 | true | [
"metallic"
] | null |
mp-1210887 | [
"Li",
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] | [
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31,
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31
] | 48 | 2 | [
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[
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"alpha": 90,
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} | 227 | LiGa2 | hard_negative | true | 16 | 0 | 0.208213 | -0.087895 | true | [
"li",
"metallic"
] | null |
mp-1210982 | [
"Li",
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30,
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30,
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30,
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30
] | 48 | 2 | [
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[
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[
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"alpha": 90,
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"gamma": 90
} | 227 | LiZn2 | hard_negative | true | 16 | 0 | 0.275214 | 0.092109 | true | [
"li",
"metallic"
] | null |
mp-1210993 | [
"Li",
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] | 48 | 2 | [
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[
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[
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"alpha": 90,
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} | 227 | LiIn2 | hard_negative | true | 16 | 0 | 0.194474 | -0.068373 | true | [
"li",
"metallic"
] | null |
mp-1211134 | [
"Li",
"Al"
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] | 48 | 2 | [
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[
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[
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[
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0... | {
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"alpha": 90,
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} | 227 | LiAl2 | hard_negative | true | 16 | 0 | 0.365996 | 0.22701 | true | [
"li",
"metallic"
] | null |
mp-1211157 | [
"Li",
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] | [
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20
] | 40 | 2 | [
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[
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[
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[
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"alpha": 90,
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} | 227 | LiCa4 | hard_negative | true | 8 | 0 | 0.318486 | 0.312683 | true | [
"li",
"metallic"
] | null |
mp-1211180 | [
"Li",
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78,
78,
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] | 40 | 2 | [
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[
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"alpha": 90,
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"gamma": 90
} | 227 | Li4Pt | hard_negative | true | 32 | 0 | 0.441252 | 0.066144 | true | [
"li",
"metallic"
] | null |
mp-1211328 | [
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27
] | 40 | 2 | [
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[
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"alpha": 90,
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"gamma": 90
} | 227 | Sm4Co | hard_negative | false | null | 0 | 0.379307 | 0.305413 | true | [
"metallic"
] | null |
mp-1211363 | [
"Ru",
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] | 40 | 2 | [
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... | {
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"alpha": 90,
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"gamma": 90
} | 227 | La4Ru | hard_negative | false | null | 0 | 0.312887 | 0.12193 | true | [
"metallic"
] | null |
mp-1211397 | [
"Al",
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] | [
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] | 40 | 2 | [
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[
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0.855615019798278... | {
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"alpha": 90,
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} | 227 | La4Al | hard_negative | false | null | 0 | 0.574445 | 0.368122 | true | [
"metallic"
] | null |
mp-1211489 | [
"La",
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] | 40 | 2 | [
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[
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... | {
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"alpha": 90,
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} | 227 | La4Ir | hard_negative | false | null | 0 | 0.377109 | -0.013891 | true | [
"metallic"
] | null |
mp-1211511 | [
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] | 48 | 2 | [
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[
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"alpha": 90,
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} | 227 | KTl2 | hard_negative | false | null | 0 | 0.189327 | 0.08159 | true | [
"metallic"
] | null |
mp-1211535 | [
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45,
45
] | 40 | 2 | [
[
0.386709988117218,
0.886709988117218,
0.886709988117218
],
[
0.11328999698162079,
0.11328999698162079,
0.386709988117218
],
[
0.11328999698162079,
0.886709988117218,
0.613290011882782
],
[
0.1367100030183792,
0.1367100030183792,
0.863290011882782
],
... | {
"a": 11.337637901306152,
"b": 11.337637901306152,
"c": 11.337637901306152,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 227 | La4Rh | hard_negative | false | null | 0 | 0.332292 | -0.027423 | true | [
"metallic"
] | null |
mp-1211568 | [
"La",
"Os"
] | [
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
76,
76,
76,
76,
76,
76,
76,
76
] | 40 | 2 | [
[
0.38385599851608276,
0.8838559985160828,
0.8838559985160828
],
[
0.11614400148391724,
0.11614400148391724,
0.38385599851608276
],
[
0.11614400148391724,
0.8838559985160828,
0.6161440014839172
],
[
0.13385599851608276,
0.13385599851608276,
0.8661440014839... | {
"a": 11.464539527893066,
"b": 11.464539527893066,
"c": 11.464539527893066,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 227 | La4Os | hard_negative | false | null | 0 | 0.379376 | 0.257756 | true | [
"metallic"
] | null |
mp-1211592 | [
"La",
"Pt"
] | [
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
78,
78,
78,
78,
78,
78,
78,
78
] | 40 | 2 | [
[
0.3885659873485565,
0.8885660171508789,
0.8885660171508789
],
[
0.11143399775028229,
0.11143399775028229,
0.3885659873485565
],
[
0.11143399775028229,
0.8885660171508789,
0.6114339828491211
],
[
0.1385660022497177,
0.1385660022497177,
0.8614339828491211
... | {
"a": 11.525236129760742,
"b": 11.525236129760742,
"c": 11.525236129760742,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 227 | La4Pt | hard_negative | false | null | 0 | 0.391195 | -0.182516 | true | [
"metallic"
] | null |
mp-1211596 | [
"Sc",
"Ni"
] | [
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
21,
28,
28,
28,
28,
28,
28,
28,
28
] | 40 | 2 | [
[
0.38892799615859985,
0.8889279961585999,
0.8889279961585999
],
[
0.11107199639081955,
0.11107199639081955,
0.38892799615859985
],
[
0.11107199639081955,
0.8889279961585999,
0.6110720038414001
],
[
0.13892799615859985,
0.13892799615859985,
0.8610720038414... | {
"a": 9.854681968688965,
"b": 9.854681968688965,
"c": 9.854681968688965,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 227 | Sc4Ni | hard_negative | false | null | 0 | 0.46102 | 0.247128 | true | [
"metallic"
] | null |
mp-1211676 | [
"Co",
"La"
] | [
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
27,
27,
27,
27,
27,
27,
27,
27
] | 40 | 2 | [
[
0.383524626493454,
0.8835246562957764,
0.383524626493454
],
[
0.6164753437042236,
0.11647537350654602,
0.383524626493454
],
[
0.11647537350654602,
0.8835246562957764,
0.11647537350654602
],
[
0.13352462649345398,
0.13352462649345398,
0.366475373506546
... | {
"a": 11.033896446228027,
"b": 11.033896446228027,
"c": 11.033896446228027,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 227 | La4Co | hard_negative | false | null | 0 | 0.277257 | 0.250261 | true | [
"metallic"
] | null |
mp-12117 | [
"S",
"Pr"
] | [
59,
59,
59,
59,
59,
59,
59,
59,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16
] | 24 | 2 | [
[
0.5,
0,
0.5
],
[
0.25,
0.25,
0.25
],
[
0.5,
0.5,
0
],
[
0.25,
0.75,
0.75
],
[
0,
0,
0
],
[
0.75,
0.25,
0.75
],
[
0,
0.5,
0.5
],
[
0.75,
0.75,
0.25
],
[
0.125,
0.625,
0.125
... | {
"a": 7.951744079589844,
"b": 7.951744079589844,
"c": 7.951744079589844,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 227 | PrS2 | hard_negative | false | null | 0 | 1.499756 | -0.511016 | true | [
"sulfide",
"metallic"
] | null |
mp-1211781 | [
"K",
"Bi"
] | [
19,
19,
19,
19,
19,
19,
19,
19,
19,
19,
19,
19,
19,
19,
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19,
19,
19,
19,
19,
19,
19,
19,
19,
19,
19,
19,
19,
19,
19,
19,
19,
83,
83,
83,
83,
83,
83,
83,
83
] | 40 | 2 | [
[
0.3831019997596741,
0.8831019997596741,
0.3831019997596741
],
[
0.6168980002403259,
0.11689800024032593,
0.3831019997596741
],
[
0.11689800024032593,
0.8831019997596741,
0.11689800024032593
],
[
0.13310199975967407,
0.13310199975967407,
0.366898000240325... | {
"a": 14.366687774658203,
"b": 14.366687774658203,
"c": 14.366687774658203,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 227 | K4Bi | hard_negative | false | null | 0 | 0.333538 | -0.067441 | true | [
"metallic"
] | null |
mp-1211837 | [
"Mg",
"La"
] | [
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
57,
12,
12,
12,
12,
12,
12,
12,
12
] | 40 | 2 | [
[
0.39757299423217773,
0.8975729942321777,
0.39757299423217773
],
[
0.6024270057678223,
0.10242699831724167,
0.39757299423217773
],
[
0.10242699831724167,
0.8975729942321777,
0.10242699831724167
],
[
0.14757299423217773,
0.14757299423217773,
0.352427005767... | {
"a": 11.67479419708252,
"b": 11.67479419708252,
"c": 11.67479419708252,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 227 | La4Mg | hard_negative | false | null | 0 | 0.579308 | 0.538987 | true | [
"metallic"
] | null |
mp-1212172 | [
"Co",
"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,
59,
59,
59,
59,
27,
27,
27,
27,
27,
27,
27,
27
] | 40 | 2 | [
[
0.38416099548339844,
0.8841609954833984,
0.38416099548339844
],
[
0.6158390045166016,
0.11583899706602097,
0.38416099548339844
],
[
0.11583899706602097,
0.8841609954833984,
0.11583899706602097
],
[
0.13416099548339844,
0.13416099548339844,
0.365839004516... | {
"a": 11.116552352905273,
"b": 11.116552352905273,
"c": 11.116552352905273,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 227 | Pr4Co | hard_negative | false | null | 0 | 0.342021 | 0.341611 | true | [
"metallic"
] | null |
mp-1212224 | [
"V",
"Hf"
] | [
72,
72,
72,
72,
72,
72,
72,
72,
72,
72,
72,
72,
72,
72,
72,
72,
72,
72,
72,
72,
72,
72,
72,
72,
72,
72,
72,
72,
72,
72,
72,
72,
23,
23,
23,
23,
23,
23,
23,
23
] | 40 | 2 | [
[
0.3936600089073181,
0.8936600089073181,
0.8936600089073181
],
[
0.10633999854326248,
0.10633999854326248,
0.3936600089073181
],
[
0.10633999854326248,
0.8936600089073181,
0.6063399910926819
],
[
0.14365999400615692,
0.14365999400615692,
0.856339991092681... | {
"a": 9.717803955078125,
"b": 9.717803955078125,
"c": 9.717803955078125,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 227 | Hf4V | hard_negative | false | null | 0 | 0.941038 | 0.941038 | true | [
"metallic"
] | null |
mp-1212226 | [
"Cr",
"Hf"
] | [
72,
72,
72,
72,
72,
72,
72,
72,
72,
72,
72,
72,
72,
72,
72,
72,
72,
72,
72,
72,
72,
72,
72,
72,
72,
72,
72,
72,
72,
72,
72,
72,
24,
24,
24,
24,
24,
24,
24,
24
] | 40 | 2 | [
[
0.39152899384498596,
0.8915290236473083,
0.8915290236473083
],
[
0.10847099870443344,
0.10847099870443344,
0.39152899384498596
],
[
0.10847099870443344,
0.8915290236473083,
0.6084709763526917
],
[
0.14152899384498596,
0.14152899384498596,
0.8584709763526... | {
"a": 9.653070449829102,
"b": 9.653070449829102,
"c": 9.653070449829102,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 227 | Hf4Cr | hard_negative | false | null | 0 | 0.938434 | 0.938434 | true | [
"metallic"
] | null |
mp-1212251 | [
"Mo",
"Hf"
] | [
72,
72,
72,
72,
72,
72,
72,
72,
72,
72,
72,
72,
72,
72,
72,
72,
72,
72,
72,
72,
72,
72,
72,
72,
72,
72,
72,
72,
72,
72,
72,
72,
42,
42,
42,
42,
42,
42,
42,
42
] | 40 | 2 | [
[
0.3941909968852997,
0.8941910266876221,
0.8941910266876221
],
[
0.10580900311470032,
0.10580900311470032,
0.3941909968852997
],
[
0.10580900311470032,
0.8941910266876221,
0.6058089733123779
],
[
0.14419099688529968,
0.14419099688529968,
0.855808973312377... | {
"a": 9.874919891357422,
"b": 9.874919891357422,
"c": 9.874919891357422,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 227 | Hf4Mo | hard_negative | false | null | 0 | 1.041078 | 0.989072 | true | [
"metallic"
] | null |
mp-1212267 | [
"Ho",
"Ir"
] | [
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
77,
77,
77,
77,
77,
77,
77,
77
] | 40 | 2 | [
[
0.38853099942207336,
0.38853099942207336,
0.38853099942207336
],
[
0.11146900057792664,
0.11146900057792664,
0.38853099942207336
],
[
0.11146900057792664,
0.38853099942207336,
0.11146900057792664
],
[
0.6385310292243958,
0.13853099942207336,
0.3614690005... | {
"a": 10.806156158447266,
"b": 10.806156158447266,
"c": 10.806156158447266,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 227 | Ho4Ir | hard_negative | false | null | 0 | 0.584952 | 0.114252 | true | [
"metallic"
] | null |
mp-1212276 | [
"Ho",
"Pt"
] | [
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
67,
78,
78,
78,
78,
78,
78,
78,
78
] | 40 | 2 | [
[
0.38972899317741394,
0.8897290229797363,
0.8897290229797363
],
[
0.11027099937200546,
0.11027099937200546,
0.38972899317741394
],
[
0.11027099937200546,
0.8897290229797363,
0.6102709770202637
],
[
0.13972899317741394,
0.13972899317741394,
0.8602709770202... | {
"a": 10.937445640563965,
"b": 10.937445640563965,
"c": 10.937445640563965,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 227 | Ho4Pt | hard_negative | false | null | 0 | 0.54268 | -0.100628 | true | [
"metallic"
] | null |
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