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-978270 | [
"Mg",
"Zr"
] | [
12,
12,
40,
40,
40,
40,
40,
40
] | 8 | 2 | [
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.16876065731048584,
0.3375213146209717,
0.25
],
[
0.16876065731048584,
0.8312393426895142,
0.25
],
[
0.6624786853790283,
0.8312393426895142,
... | {
"a": 6.352030277252197,
"b": 6.352030277252197,
"c": 5.162533760070801,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | MgZr3 | hard_negative | false | null | 0 | 0.041416 | 0.041416 | true | [
"metallic"
] | null |
mp-978510 | [
"Si",
"As"
] | [
14,
14,
14,
14,
14,
14,
33,
33
] | 8 | 2 | [
[
0.32339999079704285,
0.16169999539852142,
0.75
],
[
0.8382999897003174,
0.16169999539852142,
0.75
],
[
0.8382999897003174,
0.6765999794006348,
0.75
],
[
0.6765999794006348,
0.8382999897003174,
0.25
],
[
0.16169999539852142,
0.8382999897003174... | {
"a": 5.445298194885254,
"b": 5.445298194885254,
"c": 5.034389019012451,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Si3As | hard_negative | false | null | 0 | 0.619338 | 0.559496 | true | [
"metallic"
] | null |
mp-978525 | [
"Si",
"Mo"
] | [
14,
14,
14,
14,
14,
14,
42,
42
] | 8 | 2 | [
[
0.17457899451255798,
0.34915798902511597,
0.25
],
[
0.17457899451255798,
0.8254209756851196,
0.25
],
[
0.650842010974884,
0.8254209756851196,
0.25
],
[
0.8254209756851196,
0.650842010974884,
0.75
],
[
0.8254209756851196,
0.17457899451255798,
... | {
"a": 5.210284233093262,
"b": 5.210284233093262,
"c": 4.840019226074219,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Si3Mo | hard_negative | false | null | 0 | 0.673305 | 0.323696 | true | [
"metallic"
] | null |
mp-978744 | [
"Sm",
"Bi"
] | [
62,
62,
83,
83,
83,
83,
83,
83
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.17500217258930206,
0.3500043451786041,
0.25
],
[
0.17500217258930206,
0.8249978423118591,
0.25
],
[
0.6499956846237183,
0.8249978423118591,
... | {
"a": 6.8856520652771,
"b": 6.8856520652771,
"c": 5.984091758728027,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | SmBi3 | hard_negative | false | null | 0 | 0.155455 | -0.420425 | true | [
"metallic"
] | null |
mp-978806 | [
"Si",
"Ag"
] | [
14,
14,
14,
14,
14,
14,
47,
47
] | 8 | 2 | [
[
0.30740100145339966,
0.15370050072669983,
0.75
],
[
0.8462995290756226,
0.15370050072669983,
0.75
],
[
0.8462995290756226,
0.6925989985466003,
0.75
],
[
0.6925989985466003,
0.8462995290756226,
0.25
],
[
0.15370050072669983,
0.8462995290756226... | {
"a": 5.634219646453857,
"b": 5.634219646453857,
"c": 4.771580219268799,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Si3Ag | hard_negative | false | null | 0 | 0.569952 | 0.569952 | true | [
"metallic"
] | null |
mp-978845 | [
"Sc",
"Sm"
] | [
62,
62,
62,
62,
62,
62,
21,
21
] | 8 | 2 | [
[
0.17048189043998718,
0.34096378087997437,
0.25
],
[
0.6590362191200256,
0.8295181393623352,
0.25
],
[
0.17048189043998718,
0.8295181393623352,
0.25
],
[
0.8295181393623352,
0.17048189043998718,
0.75
],
[
0.34096378087997437,
0.170481890439987... | {
"a": 7.262474536895752,
"b": 7.262474536895752,
"c": 5.620659351348877,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Sm3Sc | hard_negative | false | null | 0 | 0.034707 | 0.034707 | true | [
"metallic"
] | null |
mp-978919 | [
"Ba",
"Tb"
] | [
56,
56,
56,
56,
56,
56,
65,
65
] | 8 | 2 | [
[
0.34376999735832214,
0.17188499867916107,
0.75
],
[
0.8281149864196777,
0.17188499867916107,
0.75
],
[
0.8281149864196777,
0.6562299728393555,
0.75
],
[
0.6562299728393555,
0.8281149864196777,
0.25
],
[
0.17188499867916107,
0.8281149864196777... | {
"a": 8.411483764648438,
"b": 8.411483764648438,
"c": 6.768603801727295,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Ba3Tb | hard_negative | false | null | 0 | 0.222508 | 0.222508 | true | [
"metallic"
] | null |
mp-978927 | [
"Sm",
"Er"
] | [
62,
62,
68,
68,
68,
68,
68,
68
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.16482199728488922,
0.32964399456977844,
0.25
],
[
0.670356035232544,
0.835178017616272,
0.25
],
[
0.16482199728488922,
0.835178017616272,
... | {
"a": 7.245163440704346,
"b": 7.245163440704346,
"c": 5.585396766662598,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | SmEr3 | hard_negative | false | null | 0 | 0.019493 | 0.019493 | true | [
"metallic"
] | null |
mp-978963 | [
"Be",
"Ti"
] | [
22,
22,
22,
22,
22,
22,
4,
4
] | 8 | 2 | [
[
0.3484320044517517,
0.17421600222587585,
0.75
],
[
0.8257840275764465,
0.17421600222587585,
0.75
],
[
0.8257840275764465,
0.6515679955482483,
0.75
],
[
0.6515679955482483,
0.8257840275764465,
0.25
],
[
0.17421600222587585,
0.8257840275764465,... | {
"a": 5.551146030426025,
"b": 5.551146030426025,
"c": 4.485772132873535,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Ti3Be | hard_negative | false | null | 0 | 0.074259 | 0.00159 | true | [
"metallic"
] | null |
mp-979013 | [
"Ge",
"Sm"
] | [
62,
62,
32,
32,
32,
32,
32,
32
] | 8 | 2 | [
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.29657599329948425,
0.14828799664974213,
0.75
],
[
0.8517119884490967,
0.14828799664974213,
0.75
],
[
0.8517119884490967,
0.7034239768981934,... | {
"a": 6.123568058013916,
"b": 6.123568058013916,
"c": 5.216063976287842,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | SmGe3 | hard_negative | false | null | 0 | 0.100666 | -0.395154 | true | [
"metallic"
] | null |
mp-979026 | [
"Sm",
"Tm"
] | [
62,
62,
69,
69,
69,
69,
69,
69
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.1647539883852005,
0.329507976770401,
0.25
],
[
0.6704919934272766,
0.8352460265159607,
0.25
],
[
0.1647539883852005,
0.8352460265159607,
... | {
"a": 7.208519458770752,
"b": 7.208519458770752,
"c": 5.56600284576416,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | SmTm3 | hard_negative | false | null | 0 | 0.008357 | 0.008357 | true | [
"metallic"
] | null |
mp-979040 | [
"Al",
"Tm"
] | [
69,
69,
13,
13,
13,
13,
13,
13
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.8514499664306641,
0.7028999328613281,
0.75
],
[
0.2971000671386719,
0.14855003356933594,
0.75
],
[
0.8514499664306641,
0.14855003356933594,
... | {
"a": 6.145257949829102,
"b": 6.145257949829102,
"c": 4.590773105621338,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | TmAl3 | hard_negative | false | null | 0 | 0 | -0.453834 | true | [
"metallic"
] | null |
mp-979234 | [
"Y",
"Sm"
] | [
62,
62,
62,
62,
62,
62,
39,
39
] | 8 | 2 | [
[
0.16847817599773407,
0.33695635199546814,
0.25
],
[
0.6630436778068542,
0.8315218091011047,
0.25
],
[
0.16847817599773407,
0.8315218091011047,
0.25
],
[
0.8315218091011047,
0.6630436778068542,
0.75
],
[
0.33695635199546814,
0.1684781759977340... | {
"a": 7.387303352355957,
"b": 7.387303352355957,
"c": 5.893924236297607,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Sm3Y | hard_negative | false | null | 0 | 0.015621 | 0.015621 | true | [
"metallic"
] | null |
mp-979263 | [
"Mg",
"Th"
] | [
90,
90,
12,
12,
12,
12,
12,
12
] | 8 | 2 | [
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.16078603267669678,
0.32157206535339355,
0.25
],
[
0.16078603267669678,
0.8392139673233032,
0.25
],
[
0.6784279346466064,
0.8392139673233032,... | {
"a": 6.762757778167725,
"b": 6.762757778167725,
"c": 5.214115619659424,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | ThMg3 | hard_negative | false | null | 0 | 0.071255 | 0.071255 | true | [
"metallic"
] | null |
mp-979266 | [
"Al",
"Sm"
] | [
62,
62,
62,
62,
62,
62,
13,
13
] | 8 | 2 | [
[
0.8218628764152527,
0.1781371384859085,
0.75
],
[
0.356274276971817,
0.1781371384859085,
0.75
],
[
0.8218628764152527,
0.6437256932258606,
0.75
],
[
0.1781371384859085,
0.8218628764152527,
0.25
],
[
0.6437256932258606,
0.8218628764152527,
... | {
"a": 7.018798828125,
"b": 7.018798828125,
"c": 5.298597812652588,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Sm3Al | hard_negative | false | null | 0 | 0 | -0.237744 | true | [
"metallic"
] | null |
mp-979292 | [
"Y",
"Sm"
] | [
62,
62,
39,
39,
39,
39,
39,
39
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.1660330444574356,
0.3320660889148712,
0.25
],
[
0.6679338812828064,
0.8339669704437256,
0.25
],
[
0.1660330444574356,
0.8339669704437256,
... | {
"a": 7.32361364364624,
"b": 7.32361364364624,
"c": 5.876297473907471,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | SmY3 | hard_negative | false | null | 0 | 0.008376 | 0.008376 | true | [
"metallic"
] | null |
mp-979293 | [
"I",
"Sm"
] | [
62,
62,
62,
62,
62,
62,
53,
53
] | 8 | 2 | [
[
0.16581499576568604,
0.33162999153137207,
0.25
],
[
0.16581499576568604,
0.834185004234314,
0.25
],
[
0.6683700084686279,
0.834185004234314,
0.25
],
[
0.834185004234314,
0.6683700084686279,
0.75
],
[
0.834185004234314,
0.16581499576568604,
... | {
"a": 7.022429943084717,
"b": 7.022429943084717,
"c": 5.75338077545166,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Sm3I | hard_negative | false | null | 0 | 0.370951 | -0.188917 | true | [
"halide",
"metallic"
] | null |
mp-979339 | [
"Cd",
"Sm"
] | [
62,
62,
62,
62,
62,
62,
48,
48
] | 8 | 2 | [
[
0.3466329872608185,
0.17331649363040924,
0.75
],
[
0.826683521270752,
0.17331649363040924,
0.75
],
[
0.826683521270752,
0.6533669829368591,
0.75
],
[
0.6533669829368591,
0.826683521270752,
0.25
],
[
0.17331649363040924,
0.826683521270752,
... | {
"a": 7.092246055603027,
"b": 7.092246055603027,
"c": 5.55596399307251,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Sm3Cd | hard_negative | false | null | 0 | 0.067684 | -0.082764 | true | [
"metallic"
] | null |
mp-979355 | [
"Sm",
"Dy"
] | [
62,
62,
62,
62,
62,
62,
66,
66
] | 8 | 2 | [
[
0.16847439110279083,
0.33694878220558167,
0.25
],
[
0.6630512475967407,
0.8315256237983704,
0.25
],
[
0.16847439110279083,
0.8315256237983704,
0.25
],
[
0.8315256237983704,
0.6630512475967407,
0.75
],
[
0.33694878220558167,
0.1684743911027908... | {
"a": 7.355257511138916,
"b": 7.355257511138916,
"c": 5.873589992523193,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Sm3Dy | hard_negative | false | null | 0 | 0.011018 | 0.011018 | true | [
"metallic"
] | null |
mp-979465 | [
"Cd",
"Sm"
] | [
62,
62,
48,
48,
48,
48,
48,
48
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.15890713036060333,
0.31781426072120667,
0.25
],
[
0.6821857690811157,
0.8410928845405579,
0.25
],
[
0.15890713036060333,
0.8410928845405579,... | {
"a": 6.697394371032715,
"b": 6.697394371032715,
"c": 4.950801372528076,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | SmCd3 | hard_negative | false | null | 0 | 0 | -0.268553 | true | [
"metallic"
] | null |
mp-979614 | [
"Sm",
"Er"
] | [
62,
62,
62,
62,
62,
62,
68,
68
] | 8 | 2 | [
[
0.1691727638244629,
0.3383455276489258,
0.25
],
[
0.6616544723510742,
0.8308272361755371,
0.25
],
[
0.1691727638244629,
0.8308272361755371,
0.25
],
[
0.8308272361755371,
0.6616544723510742,
0.75
],
[
0.3383455276489258,
0.1691727638244629,
... | {
"a": 7.338021278381348,
"b": 7.338021278381348,
"c": 5.846893310546875,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Sm3Er | hard_negative | false | null | 0 | 0.013698 | 0.013698 | true | [
"metallic"
] | null |
mp-979714 | [
"Ag",
"Sm"
] | [
62,
62,
62,
62,
62,
62,
47,
47
] | 8 | 2 | [
[
0.34802401065826416,
0.17401200532913208,
0.75
],
[
0.8259879946708679,
0.17401200532913208,
0.75
],
[
0.8259879946708679,
0.6519759893417358,
0.75
],
[
0.6519759893417358,
0.8259879946708679,
0.25
],
[
0.17401200532913208,
0.8259879946708679... | {
"a": 7.014636516571045,
"b": 7.014636516571045,
"c": 5.426352024078369,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Sm3Ag | hard_negative | false | null | 0 | 0.157027 | 0.005807 | true | [
"metallic"
] | null |
mp-979899 | [
"Sm",
"Ho"
] | [
62,
62,
62,
62,
62,
62,
67,
67
] | 8 | 2 | [
[
0.1691361665725708,
0.3382723331451416,
0.25
],
[
0.6617276668548584,
0.8308638334274292,
0.25
],
[
0.1691361665725708,
0.8308638334274292,
0.25
],
[
0.8308638334274292,
0.6617276668548584,
0.75
],
[
0.3382723331451416,
0.1691361665725708,
... | {
"a": 7.355198383331299,
"b": 7.355198383331299,
"c": 5.859621524810791,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Sm3Ho | hard_negative | false | null | 0 | 0.012368 | 0.01092 | true | [
"metallic"
] | null |
mp-979900 | [
"As",
"Tm"
] | [
69,
69,
33,
33,
33,
33,
33,
33
] | 8 | 2 | [
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.3633269965648651,
0.18166349828243256,
0.75
],
[
0.8183364868164062,
0.18166349828243256,
0.75
],
[
0.8183364868164062,
0.6366729736328125,
... | {
"a": 5.936312198638916,
"b": 5.936312198638916,
"c": 5.491203784942627,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | TmAs3 | hard_negative | false | null | 0 | 0.299587 | -0.588182 | true | [
"metallic"
] | null |
mp-979919 | [
"O",
"Ta"
] | [
73,
73,
8,
8,
8,
8,
8,
8
] | 8 | 2 | [
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.36003899574279785,
0.18001949787139893,
0.75
],
[
0.8199805021286011,
0.18001949787139893,
0.75
],
[
0.8199805021286011,
0.6399610042572021,... | {
"a": 4.67564582824707,
"b": 4.67564582824707,
"c": 3.724236011505127,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | TaO3 | hard_negative | false | null | 0 | 1.122415 | -1.805827 | true | [
"oxide",
"metallic"
] | null |
mp-979923 | [
"Mn",
"Sm"
] | [
62,
62,
25,
25,
25,
25,
25,
25
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.1465349942445755,
0.293069988489151,
0.25
],
[
0.1465349942445755,
0.8534650206565857,
0.25
],
[
0.7069299817085266,
0.8534650206565857,
... | {
"a": 6.022888660430908,
"b": 6.022888660430908,
"c": 4.6288981437683105,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | SmMn3 | hard_negative | false | null | 0 | 0.346148 | 0.346148 | true | [
"metallic"
] | null |
mp-979933 | [
"Si",
"Tm"
] | [
69,
69,
69,
69,
69,
69,
14,
14
] | 8 | 2 | [
[
0.3488839864730835,
0.17444199323654175,
0.75
],
[
0.8255580067634583,
0.17444199323654175,
0.75
],
[
0.8255580067634583,
0.6511160135269165,
0.75
],
[
0.6511160135269165,
0.8255580067634583,
0.25
],
[
0.17444199323654175,
0.8255580067634583,... | {
"a": 6.518181800842285,
"b": 6.518181800842285,
"c": 5.161770820617676,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Tm3Si | hard_negative | false | null | 0 | 0.230603 | -0.295615 | true | [
"metallic"
] | null |
mp-979973 | [
"Sm",
"Tm"
] | [
62,
62,
62,
62,
62,
62,
69,
69
] | 8 | 2 | [
[
0.1694919615983963,
0.3389839231967926,
0.25
],
[
0.6610161066055298,
0.8305080533027649,
0.25
],
[
0.1694919615983963,
0.8305080533027649,
0.25
],
[
0.8305080533027649,
0.6610161066055298,
0.75
],
[
0.3389839231967926,
0.1694919615983963,
... | {
"a": 7.323258399963379,
"b": 7.323258399963379,
"c": 5.838526248931885,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Sm3Tm | hard_negative | false | null | 0 | 0.010108 | 0.010108 | true | [
"metallic"
] | null |
mp-979980 | [
"V",
"Pd"
] | [
23,
23,
46,
46,
46,
46,
46,
46
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.1688520759344101,
0.3377041518688202,
0.25
],
[
0.6622958779335022,
0.8311479091644287,
0.25
],
[
0.1688520759344101,
0.8311479091644287,
... | {
"a": 5.484891891479492,
"b": 5.484891891479492,
"c": 4.463481903076172,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | VPd3 | hard_negative | false | null | 0 | 0.001083 | -0.265271 | true | [
"metallic"
] | null |
mp-979983 | [
"Cs",
"Yb"
] | [
55,
55,
55,
55,
55,
55,
70,
70
] | 8 | 2 | [
[
0.822722315788269,
0.17727768421173096,
0.75
],
[
0.3545553684234619,
0.17727768421173096,
0.75
],
[
0.822722315788269,
0.6454446315765381,
0.75
],
[
0.6454446315765381,
0.822722315788269,
0.25
],
[
0.17727768421173096,
0.822722315788269,
... | {
"a": 9.492300033569336,
"b": 9.492300033569336,
"c": 7.793972015380859,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Cs3Yb | hard_negative | false | null | 0 | 0.658644 | 0.658644 | true | [
"metallic"
] | null |
mp-979985 | [
"Yb",
"Au"
] | [
70,
70,
79,
79,
79,
79,
79,
79
] | 8 | 2 | [
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.3284279704093933,
0.16421398520469666,
0.75
],
[
0.835785984992981,
0.16421398520469666,
0.75
],
[
0.835785984992981,
0.6715720295906067,
... | {
"a": 6.045151233673096,
"b": 6.045151233673096,
"c": 4.844961166381836,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | YbAu3 | hard_negative | false | null | 0 | 0.048429 | -0.74827 | true | [
"metallic"
] | null |
mp-980038 | [
"Ru",
"Tl"
] | [
81,
81,
81,
81,
81,
81,
44,
44
] | 8 | 2 | [
[
0.3447990119457245,
0.17239950597286224,
0.75
],
[
0.8276004791259766,
0.17239950597286224,
0.75
],
[
0.8276004791259766,
0.6552010178565979,
0.75
],
[
0.6552010178565979,
0.8276004791259766,
0.25
],
[
0.17239950597286224,
0.8276004791259766,... | {
"a": 6.380996227264404,
"b": 6.380996227264404,
"c": 5.298245906829834,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Tl3Ru | hard_negative | false | null | 0 | 0.652726 | 0.652726 | true | [
"metallic"
] | null |
mp-980061 | [
"As",
"Tb"
] | [
65,
65,
33,
33,
33,
33,
33,
33
] | 8 | 2 | [
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.371071994304657,
0.1855359971523285,
0.75
],
[
0.8144639730453491,
0.1855359971523285,
0.75
],
[
0.8144639730453491,
0.628928005695343,
... | {
"a": 6.014998435974121,
"b": 6.014998435974121,
"c": 5.5835747718811035,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | TbAs3 | hard_negative | false | null | 0 | 0.268601 | -0.641216 | true | [
"metallic"
] | null |
mp-980109 | [
"Sn",
"Au"
] | [
50,
50,
79,
79,
79,
79,
79,
79
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.16524916887283325,
0.3304983377456665,
0.25
],
[
0.6695016622543335,
0.8347508311271667,
0.25
],
[
0.16524916887283325,
0.8347508311271667,
... | {
"a": 5.864640235900879,
"b": 5.864640235900879,
"c": 5.143099784851074,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | SnAu3 | hard_negative | false | null | 0 | 0.066113 | -0.005658 | true | [
"metallic"
] | null |
mp-980200 | [
"Zn",
"Rh"
] | [
30,
30,
30,
30,
30,
30,
45,
45
] | 8 | 2 | [
[
0.16860461235046387,
0.33720922470092773,
0.25
],
[
0.6627907752990723,
0.8313953876495361,
0.25
],
[
0.16860461235046387,
0.8313953876495361,
0.25
],
[
0.8313953876495361,
0.6627907752990723,
0.75
],
[
0.33720922470092773,
0.1686046123504638... | {
"a": 5.355210304260254,
"b": 5.355210304260254,
"c": 4.344949245452881,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Zn3Rh | hard_negative | false | null | 0 | 0.005578 | -0.34694 | true | [
"metallic"
] | null |
mp-980429 | [
"Sm",
"Hg"
] | [
62,
62,
62,
62,
62,
62,
80,
80
] | 8 | 2 | [
[
0.17579405009746552,
0.35158810019493103,
0.25
],
[
0.6484119296073914,
0.8242059350013733,
0.25
],
[
0.17579405009746552,
0.8242059350013733,
0.25
],
[
0.8242059350013733,
0.6484119296073914,
0.75
],
[
0.35158810019493103,
0.1757940500974655... | {
"a": 6.999099254608154,
"b": 6.999099254608154,
"c": 5.475268840789795,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Sm3Hg | hard_negative | false | null | 0 | 0 | -0.222143 | true | [
"metallic"
] | null |
mp-980660 | [
"Mg",
"Tm"
] | [
69,
69,
69,
69,
69,
69,
12,
12
] | 8 | 2 | [
[
0.16915260255336761,
0.33830520510673523,
0.25
],
[
0.16915260255336761,
0.8308473825454712,
0.25
],
[
0.6616948246955872,
0.8308473825454712,
0.25
],
[
0.33830520510673523,
0.16915260255336761,
0.75
],
[
0.8308473825454712,
0.169152602553367... | {
"a": 6.89600133895874,
"b": 6.89600133895874,
"c": 5.500317096710205,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Tm3Mg | hard_negative | false | null | 0 | 0.0483 | 0.006878 | true | [
"metallic"
] | null |
mp-980667 | [
"Br",
"Sr"
] | [
38,
38,
35,
35,
35,
35,
35,
35
] | 8 | 2 | [
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.34539398550987244,
0.17269699275493622,
0.75
],
[
0.8273029923439026,
0.17269699275493622,
0.75
],
[
0.8273029923439026,
0.6546059846878052,... | {
"a": 6.764062404632568,
"b": 6.764062404632568,
"c": 6.024258136749268,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | SrBr3 | hard_negative | false | null | 0 | 0.188862 | -1.690155 | true | [
"halide",
"metallic"
] | null |
mp-980750 | [
"As",
"Y"
] | [
39,
39,
33,
33,
33,
33,
33,
33
] | 8 | 2 | [
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.37219399213790894,
0.18609699606895447,
0.75
],
[
0.8139029741287231,
0.18609699606895447,
0.75
],
[
0.8139029741287231,
0.6278060078620911,... | {
"a": 6.025543689727783,
"b": 6.025543689727783,
"c": 5.566368103027344,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | YAs3 | hard_negative | false | null | 0 | 0.285011 | -0.624048 | true | [
"metallic"
] | null |
mp-980944 | [
"Y",
"Yb"
] | [
70,
70,
70,
70,
70,
70,
39,
39
] | 8 | 2 | [
[
0.33075448870658875,
0.16537724435329437,
0.75
],
[
0.8346227407455444,
0.16537724435329437,
0.75
],
[
0.8346227407455444,
0.6692454814910889,
0.75
],
[
0.6692454814910889,
0.8346227407455444,
0.25
],
[
0.16537724435329437,
0.8346227407455444... | {
"a": 7.158139705657959,
"b": 7.158139705657959,
"c": 5.519337177276611,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Yb3Y | hard_negative | false | null | 0 | 0.002564 | 0.002564 | true | [
"metallic"
] | null |
mp-981249 | [
"Y",
"Tm"
] | [
39,
39,
39,
39,
39,
39,
69,
69
] | 8 | 2 | [
[
0.1678244024515152,
0.3356488049030304,
0.25
],
[
0.664351224899292,
0.832175612449646,
0.25
],
[
0.1678244024515152,
0.832175612449646,
0.25
],
[
0.832175612449646,
0.664351224899292,
0.75
],
[
0.3356488049030304,
0.1678244024515152,
0.7... | {
"a": 7.227336406707764,
"b": 7.227336406707764,
"c": 5.822317600250244,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Y3Tm | hard_negative | false | null | 0 | 0 | -0.001166 | true | [
"metallic"
] | null |
mp-981310 | [
"Ge",
"Tl"
] | [
81,
81,
81,
81,
81,
81,
32,
32
] | 8 | 2 | [
[
0.34579798579216003,
0.17289899289608002,
0.75
],
[
0.8271009922027588,
0.17289899289608002,
0.75
],
[
0.8271009922027588,
0.6542019844055176,
0.75
],
[
0.6542019844055176,
0.8271009922027588,
0.25
],
[
0.17289899289608002,
0.8271009922027588... | {
"a": 7.047539710998535,
"b": 7.047539710998535,
"c": 5.3499908447265625,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Tl3Ge | hard_negative | false | null | 0 | 0.168976 | 0.168976 | true | [
"metallic"
] | null |
mp-981364 | [
"Sm",
"Yb"
] | [
70,
70,
62,
62,
62,
62,
62,
62
] | 8 | 2 | [
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.33670201897621155,
0.16835100948810577,
0.75
],
[
0.8316490054130554,
0.16835100948810577,
0.75
],
[
0.8316490054130554,
0.6632980108261108,... | {
"a": 7.334608554840088,
"b": 7.334608554840088,
"c": 5.7526936531066895,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | YbSm3 | hard_negative | false | null | 0 | 0.00831 | 0.006505 | true | [
"metallic"
] | null |
mp-981375 | [
"Mg",
"Hf"
] | [
72,
72,
12,
12,
12,
12,
12,
12
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3356730043888092,
0.1678365021944046,
0.75
],
[
0.8321635127067566,
0.1678365021944046,
0.75
],
[
0.8321635127067566,
0.6643270254135132,
... | {
"a": 6.309974193572998,
"b": 6.309974193572998,
"c": 5.031020164489746,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | HfMg3 | hard_negative | false | null | 0 | 0.173282 | 0.173282 | true | [
"metallic"
] | null |
mp-981549 | [
"Y",
"Th"
] | [
39,
39,
39,
39,
39,
39,
90,
90
] | 8 | 2 | [
[
0.16812951862812042,
0.33625903725624084,
0.25
],
[
0.6637409925460815,
0.8318704962730408,
0.25
],
[
0.16812951862812042,
0.8318704962730408,
0.25
],
[
0.8318704962730408,
0.6637409925460815,
0.75
],
[
0.33625903725624084,
0.1681295186281204... | {
"a": 7.289078712463379,
"b": 7.289078712463379,
"c": 5.825890064239502,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Y3Th | hard_negative | false | null | 0 | 0.075502 | 0.075502 | true | [
"metallic"
] | null |
mp-981563 | [
"Pm",
"Yb"
] | [
70,
70,
61,
61,
61,
61,
61,
61
] | 8 | 2 | [
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.3371344208717346,
0.1685672104358673,
0.75
],
[
0.8314327597618103,
0.1685672104358673,
0.75
],
[
0.8314327597618103,
0.6628655791282654,
... | {
"a": 7.370787143707275,
"b": 7.370787143707275,
"c": 5.741207122802734,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | YbPm3 | hard_negative | false | null | 0 | 0.014246 | 0.014246 | true | [
"metallic"
] | null |
mp-981748 | [
"Ag",
"Tb"
] | [
65,
65,
47,
47,
47,
47,
47,
47
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.1551354080438614,
0.3102708160877228,
0.25
],
[
0.6897291541099548,
0.8448646068572998,
0.25
],
[
0.1551354080438614,
0.8448646068572998,
... | {
"a": 6.280534744262695,
"b": 6.280534744262695,
"c": 4.814937591552734,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | TbAg3 | hard_negative | false | null | 0 | 0.051268 | -0.208986 | true | [
"metallic"
] | null |
mp-982013 | [
"Sr",
"Tm"
] | [
38,
38,
38,
38,
38,
38,
69,
69
] | 8 | 2 | [
[
0.3436709940433502,
0.1718354970216751,
0.75
],
[
0.8281645178794861,
0.1718354970216751,
0.75
],
[
0.8281645178794861,
0.6563289761543274,
0.75
],
[
0.6563289761543274,
0.8281645178794861,
0.25
],
[
0.1718354970216751,
0.8281645178794861,
... | {
"a": 8.04819393157959,
"b": 8.04819393157959,
"c": 6.578367233276367,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Sr3Tm | hard_negative | false | null | 0 | 0.229104 | 0.229104 | true | [
"metallic"
] | null |
mp-982016 | [
"Ga",
"Tm"
] | [
69,
69,
69,
69,
69,
69,
31,
31
] | 8 | 2 | [
[
0.3470430076122284,
0.1735215038061142,
0.75
],
[
0.8264784812927246,
0.1735215038061142,
0.75
],
[
0.8264784812927246,
0.652957022190094,
0.75
],
[
0.652957022190094,
0.8264784812927246,
0.25
],
[
0.1735215038061142,
0.8264784812927246,
... | {
"a": 6.676209926605225,
"b": 6.676209926605225,
"c": 5.223805904388428,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Tm3Ga | hard_negative | false | null | 0 | 0.101288 | -0.302525 | true | [
"metallic"
] | null |
mp-982044 | [
"Zn",
"Sm"
] | [
62,
62,
62,
62,
62,
62,
30,
30
] | 8 | 2 | [
[
0.353316992521286,
0.176658496260643,
0.75
],
[
0.8233414888381958,
0.176658496260643,
0.75
],
[
0.8233414888381958,
0.6466829776763916,
0.75
],
[
0.6466829776763916,
0.8233414888381958,
0.25
],
[
0.176658496260643,
0.8233414888381958,
0.... | {
"a": 6.981429576873779,
"b": 6.981429576873779,
"c": 5.3003058433532715,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Sm3Zn | hard_negative | false | null | 0 | 0.122644 | -0.042215 | true | [
"metallic"
] | null |
mp-982064 | [
"Br",
"Tl"
] | [
81,
81,
81,
81,
81,
81,
35,
35
] | 8 | 2 | [
[
0.33473700284957886,
0.16736850142478943,
0.75
],
[
0.832631528377533,
0.16736850142478943,
0.75
],
[
0.832631528377533,
0.6652629971504211,
0.75
],
[
0.6652629971504211,
0.832631528377533,
0.25
],
[
0.16736850142478943,
0.832631528377533,
... | {
"a": 6.978886127471924,
"b": 6.978886127471924,
"c": 6.269834995269775,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Tl3Br | hard_negative | false | null | 0 | 0.176553 | -0.398958 | true | [
"halide",
"metallic"
] | null |
mp-982243 | [
"Y",
"Sn"
] | [
39,
39,
39,
39,
39,
39,
50,
50
] | 8 | 2 | [
[
0.34229400753974915,
0.17114700376987457,
0.75
],
[
0.8288530111312866,
0.17114700376987457,
0.75
],
[
0.8288530111312866,
0.6577060222625732,
0.75
],
[
0.6577060222625732,
0.8288530111312866,
0.25
],
[
0.17114700376987457,
0.8288530111312866... | {
"a": 6.880671977996826,
"b": 6.880671977996826,
"c": 5.600688934326172,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Y3Sn | hard_negative | false | null | 0 | 0.121179 | -0.374432 | true | [
"metallic"
] | null |
mp-982244 | [
"H",
"Pa"
] | [
91,
91,
91,
91,
91,
91,
1,
1
] | 8 | 2 | [
[
0.378493994474411,
0.1892469972372055,
0.75
],
[
0.8107529878616333,
0.1892469972372055,
0.75
],
[
0.8107529878616333,
0.6215059757232666,
0.75
],
[
0.6215059757232666,
0.8107529878616333,
0.25
],
[
0.1892469972372055,
0.8107529878616333,
... | {
"a": 6.910436153411865,
"b": 6.910436153411865,
"c": 3.8449440002441406,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Pa3H | hard_negative | false | null | 0 | 0.664727 | 0.523777 | true | [
"metallic"
] | null |
mp-982321 | [
"Yb",
"W"
] | [
70,
70,
70,
70,
70,
70,
74,
74
] | 8 | 2 | [
[
0.3436921536922455,
0.17184607684612274,
0.75
],
[
0.8281539082527161,
0.17184607684612274,
0.75
],
[
0.8281539082527161,
0.6563078165054321,
0.75
],
[
0.6563078165054321,
0.8281539082527161,
0.25
],
[
0.17184607684612274,
0.8281539082527161,... | {
"a": 6.553484916687012,
"b": 6.553484916687012,
"c": 5.120655536651611,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Yb3W | hard_negative | false | null | 0 | 0.320694 | 0.320694 | true | [
"metallic"
] | null |
mp-982377 | [
"Nd",
"Yb"
] | [
70,
70,
60,
60,
60,
60,
60,
60
] | 8 | 2 | [
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.3375116288661957,
0.16875581443309784,
0.75
],
[
0.831244170665741,
0.16875581443309784,
0.75
],
[
0.831244170665741,
0.6624884009361267,
... | {
"a": 7.413564682006836,
"b": 7.413564682006836,
"c": 5.788166522979736,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | YbNd3 | hard_negative | false | null | 0 | 0.019074 | 0.019074 | true | [
"metallic"
] | null |
mp-982557 | [
"Ga",
"Ho"
] | [
67,
67,
31,
31,
31,
31,
31,
31
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.14602361619472504,
0.2920472323894501,
0.25
],
[
0.7079527974128723,
0.8539763689041138,
0.25
],
[
0.14602361619472504,
0.8539763689041138,
... | {
"a": 6.22579288482666,
"b": 6.22579288482666,
"c": 4.479467391967773,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | HoGa3 | hard_negative | false | null | 0 | 0 | -0.55943 | true | [
"metallic"
] | null |
mp-982619 | [
"Ho",
"Tm"
] | [
67,
67,
67,
67,
67,
67,
69,
69
] | 8 | 2 | [
[
0.16687119007110596,
0.3337423801422119,
0.25
],
[
0.6662576198577881,
0.833128809928894,
0.25
],
[
0.16687119007110596,
0.833128809928894,
0.25
],
[
0.833128809928894,
0.6662576198577881,
0.75
],
[
0.3337423801422119,
0.16687119007110596,
... | {
"a": 7.19903039932251,
"b": 7.19903039932251,
"c": 5.5356035232543945,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Ho3Tm | hard_negative | false | null | 0 | 0.008873 | 0.002351 | true | [
"metallic"
] | null |
mp-982729 | [
"Sm",
"Np"
] | [
62,
62,
62,
62,
62,
62,
93,
93
] | 8 | 2 | [
[
0.33862701058387756,
0.16931350529193878,
0.75
],
[
0.8306865096092224,
0.16931350529193878,
0.75
],
[
0.8306865096092224,
0.6613730192184448,
0.75
],
[
0.6613730192184448,
0.8306865096092224,
0.25
],
[
0.16931350529193878,
0.8306865096092224... | {
"a": 7.194187641143799,
"b": 7.194187641143799,
"c": 5.730751037597656,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Sm3Np | hard_negative | false | null | 0 | 0.380203 | 0.380203 | true | [
"metallic"
] | null |
mp-982778 | [
"Zn",
"Se"
] | [
30,
30,
30,
30,
30,
30,
34,
34
] | 8 | 2 | [
[
0.31904900074005127,
0.15952450037002563,
0.75
],
[
0.8404754996299744,
0.15952450037002563,
0.75
],
[
0.8404754996299744,
0.6809509992599487,
0.75
],
[
0.6809509992599487,
0.8404754996299744,
0.25
],
[
0.15952450037002563,
0.8404754996299744... | {
"a": 5.880620002746582,
"b": 5.880620002746582,
"c": 4.785090923309326,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Zn3Se | hard_negative | false | null | 0 | 0.493525 | 0.017745 | true | [
"metallic"
] | null |
mp-982981 | [
"Na",
"Rh"
] | [
11,
11,
11,
11,
11,
11,
45,
45
] | 8 | 2 | [
[
0.35493698716163635,
0.17746849358081818,
0.75
],
[
0.822531521320343,
0.17746849358081818,
0.75
],
[
0.822531521320343,
0.6450629830360413,
0.75
],
[
0.6450629830360413,
0.822531521320343,
0.25
],
[
0.17746849358081818,
0.822531521320343,
... | {
"a": 6.358475685119629,
"b": 6.358475685119629,
"c": 5.213929176330566,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Na3Rh | hard_negative | false | null | 0 | 0.371893 | 0.371893 | true | [
"metallic"
] | null |
mp-983152 | [
"Li",
"Re"
] | [
3,
3,
3,
3,
3,
3,
75,
75
] | 8 | 2 | [
[
0.3391979932785034,
0.1695989966392517,
0.75
],
[
0.8304010033607483,
0.1695989966392517,
0.75
],
[
0.8304010033607483,
0.6608020067214966,
0.75
],
[
0.6608020067214966,
0.8304010033607483,
0.25
],
[
0.1695989966392517,
0.8304010033607483,
... | {
"a": 5.415116310119629,
"b": 5.415116310119629,
"c": 4.517162799835205,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Li3Re | hard_negative | true | 6 | 0 | 0.835999 | 0.835999 | true | [
"li",
"metallic"
] | null |
mp-983235 | [
"Tl",
"Pb"
] | [
81,
81,
81,
81,
81,
81,
82,
82
] | 8 | 2 | [
[
0.8324770331382751,
0.16752299666404724,
0.75
],
[
0.3350459933280945,
0.16752299666404724,
0.75
],
[
0.8324770331382751,
0.6649540066719055,
0.75
],
[
0.16752299666404724,
0.8324770331382751,
0.25
],
[
0.6649540066719055,
0.8324770331382751,... | {
"a": 7.081437587738037,
"b": 7.081437587738037,
"c": 5.590282917022705,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Tl3Pb | hard_negative | false | null | 0 | 0.011133 | 0.011133 | true | [
"metallic"
] | null |
mp-983407 | [
"H",
"Pd"
] | [
1,
1,
46,
46,
46,
46,
46,
46
] | 8 | 2 | [
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.34887999296188354,
0.17443999648094177,
0.75
],
[
0.8255599737167358,
0.17443999648094177,
0.75
],
[
0.8255599737167358,
0.6511200070381165,... | {
"a": 5.550725936889648,
"b": 5.550725936889648,
"c": 4.081002235412598,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | HPd3 | hard_negative | false | null | 0 | 0.528606 | 0.483932 | true | [
"metallic"
] | null |
mp-983445 | [
"Na",
"Pt"
] | [
11,
11,
11,
11,
11,
11,
78,
78
] | 8 | 2 | [
[
0.35645198822021484,
0.17822599411010742,
0.75
],
[
0.8217740058898926,
0.17822599411010742,
0.75
],
[
0.8217740058898926,
0.6435480117797852,
0.75
],
[
0.6435480117797852,
0.8217740058898926,
0.25
],
[
0.17822599411010742,
0.8217740058898926... | {
"a": 6.380660057067871,
"b": 6.380660057067871,
"c": 5.158949851989746,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Na3Pt | hard_negative | false | null | 0 | 0.101913 | -0.07107 | true | [
"metallic"
] | null |
mp-983458 | [
"Cl",
"Tl"
] | [
81,
81,
81,
81,
81,
81,
17,
17
] | 8 | 2 | [
[
0.33649399876594543,
0.16824699938297272,
0.75
],
[
0.8317530155181885,
0.16824699938297272,
0.75
],
[
0.8317530155181885,
0.6635059714317322,
0.75
],
[
0.6635059714317322,
0.8317530155181885,
0.25
],
[
0.16824699938297272,
0.8317530155181885... | {
"a": 6.861785888671875,
"b": 6.861785888671875,
"c": 6.163691997528076,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Tl3Cl | hard_negative | false | null | 0 | 0.197982 | -0.464927 | true | [
"halide",
"metallic"
] | null |
mp-983479 | [
"Si",
"Sm"
] | [
62,
62,
62,
62,
62,
62,
14,
14
] | 8 | 2 | [
[
0.3598470091819763,
0.17992350459098816,
0.75
],
[
0.8200765252113342,
0.17992350459098816,
0.75
],
[
0.8200765252113342,
0.6401529908180237,
0.75
],
[
0.6401529908180237,
0.8200765252113342,
0.25
],
[
0.17992350459098816,
0.8200765252113342,... | {
"a": 6.935640335083008,
"b": 6.935640335083008,
"c": 5.075284957885742,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Sm3Si | hard_negative | false | null | 0 | 0.159887 | -0.306616 | true | [
"metallic"
] | null |
mp-983509 | [
"Na",
"Cd"
] | [
11,
11,
11,
11,
11,
11,
48,
48
] | 8 | 2 | [
[
0.17411856353282928,
0.34823712706565857,
0.25
],
[
0.651762843132019,
0.8258814215660095,
0.25
],
[
0.17411856353282928,
0.8258814215660095,
0.25
],
[
0.8258814215660095,
0.651762843132019,
0.75
],
[
0.34823712706565857,
0.17411856353282928,... | {
"a": 6.971323490142822,
"b": 6.971323490142822,
"c": 5.615610599517822,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Na3Cd | hard_negative | false | null | 0 | 0.00322 | -0.014539 | true | [
"metallic"
] | null |
mp-983550 | [
"Nb",
"Pa"
] | [
91,
91,
91,
91,
91,
91,
41,
41
] | 8 | 2 | [
[
0.34564098715782166,
0.17282049357891083,
0.75
],
[
0.827179491519928,
0.17282049357891083,
0.75
],
[
0.827179491519928,
0.654358983039856,
0.75
],
[
0.654358983039856,
0.827179491519928,
0.25
],
[
0.17282049357891083,
0.827179491519928,
... | {
"a": 6.237208366394043,
"b": 6.237208366394043,
"c": 5.609166145324707,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Pa3Nb | hard_negative | false | null | 0 | 0.175583 | 0.175583 | true | [
"metallic"
] | null |
mp-983562 | [
"Na",
"Nd"
] | [
11,
11,
11,
11,
11,
11,
60,
60
] | 8 | 2 | [
[
0.16137400269508362,
0.32274800539016724,
0.25
],
[
0.16137400269508362,
0.8386260271072388,
0.25
],
[
0.32274800539016724,
0.16137400269508362,
0.75
],
[
0.6772519946098328,
0.8386260271072388,
0.25
],
[
0.8386260271072388,
0.677251994609832... | {
"a": 7.383930206298828,
"b": 7.383930206298828,
"c": 5.875308036804199,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Na3Nd | hard_negative | false | null | 0 | 0.316944 | 0.316944 | true | [
"metallic"
] | null |
mp-983567 | [
"Ca",
"Ac"
] | [
20,
20,
89,
89,
89,
89,
89,
89
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.16790512204170227,
0.33581024408340454,
0.25
],
[
0.6641897559165955,
0.8320949077606201,
0.25
],
[
0.16790512204170227,
0.8320949077606201,... | {
"a": 8.05192756652832,
"b": 8.05192756652832,
"c": 6.608949661254883,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | CaAc3 | hard_negative | false | null | 0 | 0.027833 | 0.027833 | true | [
"metallic"
] | null |
mp-983582 | [
"Ca",
"Nd"
] | [
20,
20,
60,
60,
60,
60,
60,
60
] | 8 | 2 | [
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.32813000679016113,
0.16406500339508057,
0.75
],
[
0.8359349966049194,
0.16406500339508057,
0.75
],
[
0.8359349966049194,
0.6718699932098389,... | {
"a": 7.483453750610352,
"b": 7.483453750610352,
"c": 6.0118608474731445,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | CaNd3 | hard_negative | false | null | 0 | 0.089137 | 0.089137 | true | [
"metallic"
] | null |
mp-983607 | [
"V",
"Cd"
] | [
23,
23,
23,
23,
23,
23,
48,
48
] | 8 | 2 | [
[
0.3019990026950836,
0.1509995013475418,
0.75
],
[
0.8490005135536194,
0.1509995013475418,
0.75
],
[
0.8490005135536194,
0.6980010271072388,
0.75
],
[
0.6980010271072388,
0.8490005135536194,
0.25
],
[
0.1509995013475418,
0.8490005135536194,
... | {
"a": 5.65568208694458,
"b": 5.65568208694458,
"c": 4.485405921936035,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | V3Cd | hard_negative | false | null | 0 | 0.332783 | 0.332783 | true | [
"metallic"
] | null |
mp-984100 | [
"P",
"Pb"
] | [
15,
15,
82,
82,
82,
82,
82,
82
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.17126700282096863,
0.34253400564193726,
0.25
],
[
0.17126700282096863,
0.8287330269813538,
0.25
],
[
0.6574659943580627,
0.8287330269813538,... | {
"a": 6.699375629425049,
"b": 6.699375629425049,
"c": 5.742342948913574,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | PPb3 | hard_negative | false | null | 0 | 0.259414 | 0.250683 | true | [
"metallic"
] | null |
mp-984102 | [
"H",
"Fe"
] | [
26,
26,
26,
26,
26,
26,
1,
1
] | 8 | 2 | [
[
0.34545400738716125,
0.17272700369358063,
0.75
],
[
0.8272730112075806,
0.17272700369358063,
0.75
],
[
0.8272730112075806,
0.6545460224151611,
0.75
],
[
0.6545460224151611,
0.8272730112075806,
0.25
],
[
0.17272700369358063,
0.8272730112075806... | {
"a": 5.152725696563721,
"b": 5.152725696563721,
"c": 3.6130878925323486,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Fe3H | hard_negative | false | null | 0 | 0.600378 | 0.566751 | true | [
"metallic"
] | null |
mp-984106 | [
"Na",
"Re"
] | [
11,
11,
11,
11,
11,
11,
75,
75
] | 8 | 2 | [
[
0.34789299964904785,
0.17394649982452393,
0.75
],
[
0.8260535001754761,
0.17394649982452393,
0.75
],
[
0.8260535001754761,
0.6521070003509521,
0.75
],
[
0.6521070003509521,
0.8260535001754761,
0.25
],
[
0.17394649982452393,
0.8260535001754761... | {
"a": 6.618611812591553,
"b": 6.618611812591553,
"c": 5.47343111038208,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Na3Re | hard_negative | false | null | 0 | 1.299978 | 1.299978 | true | [
"metallic"
] | null |
mp-984315 | [
"Be",
"Ni"
] | [
4,
4,
4,
4,
4,
4,
28,
28
] | 8 | 2 | [
[
0.8331390023231506,
0.16686101257801056,
0.75
],
[
0.3337220251560211,
0.16686101257801056,
0.75
],
[
0.8331390023231506,
0.6662779450416565,
0.75
],
[
0.16686101257801056,
0.8331390023231506,
0.25
],
[
0.6662779450416565,
0.8331390023231506,... | {
"a": 4.581920146942139,
"b": 4.581920146942139,
"c": 3.6859169006347656,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Be3Ni | hard_negative | false | null | 0 | 0.005405 | -0.278281 | true | [
"metallic"
] | null |
mp-984351 | [
"Cu",
"Ag"
] | [
29,
29,
47,
47,
47,
47,
47,
47
] | 8 | 2 | [
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.338793009519577,
0.1693965047597885,
0.75
],
[
0.8306034803390503,
0.1693965047597885,
0.75
],
[
0.8306034803390503,
0.6612070202827454,
... | {
"a": 5.746017932891846,
"b": 5.746017932891846,
"c": 4.639822959899902,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | CuAg3 | hard_negative | false | null | 0 | 0.085708 | 0.085708 | true | [
"metallic"
] | null |
mp-984353 | [
"As",
"Au"
] | [
33,
33,
79,
79,
79,
79,
79,
79
] | 8 | 2 | [
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.3336629867553711,
0.16683149337768555,
0.75
],
[
0.8331685066223145,
0.16683149337768555,
0.75
],
[
0.8331685066223145,
0.6663370132446289,
... | {
"a": 5.958985328674316,
"b": 5.958985328674316,
"c": 4.8089070320129395,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | AsAu3 | hard_negative | false | null | 0 | 0.150763 | 0.150763 | true | [
"metallic"
] | null |
mp-984358 | [
"O",
"Au"
] | [
79,
79,
79,
79,
79,
79,
8,
8
] | 8 | 2 | [
[
0.18666699528694153,
0.37333399057388306,
0.25
],
[
0.18666699528694153,
0.8133329749107361,
0.25
],
[
0.6266660094261169,
0.8133329749107361,
0.25
],
[
0.8133329749107361,
0.6266660094261169,
0.75
],
[
0.8133329749107361,
0.18666699528694153... | {
"a": 7.458232402801514,
"b": 7.458232402801514,
"c": 2.9351279735565186,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Au3O | hard_negative | false | null | 0 | 0.387308 | 0.196536 | true | [
"oxide",
"metallic"
] | null |
mp-984359 | [
"O",
"Dy"
] | [
66,
66,
8,
8,
8,
8,
8,
8
] | 8 | 2 | [
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.36204299330711365,
0.18102149665355682,
0.75
],
[
0.818978488445282,
0.18102149665355682,
0.75
],
[
0.818978488445282,
0.637956976890564,
... | {
"a": 4.652964115142822,
"b": 4.652964115142822,
"c": 4.659951210021973,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | DyO3 | hard_negative | false | null | 0 | 0.509399 | -1.993754 | true | [
"oxide",
"metallic"
] | null |
mp-984597 | [
"S",
"Au"
] | [
79,
79,
79,
79,
79,
79,
16,
16
] | 8 | 2 | [
[
0.3325220048427582,
0.1662610024213791,
0.75
],
[
0.8337389826774597,
0.1662610024213791,
0.75
],
[
0.8337389826774597,
0.6674780249595642,
0.75
],
[
0.6674780249595642,
0.8337389826774597,
0.25
],
[
0.1662610024213791,
0.8337389826774597,
... | {
"a": 5.887958526611328,
"b": 5.887958526611328,
"c": 4.8245930671691895,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Au3S | hard_negative | false | null | 0 | 0.404246 | 0.31549 | true | [
"sulfide",
"metallic"
] | null |
mp-984612 | [
"Be",
"Ru"
] | [
4,
4,
4,
4,
4,
4,
44,
44
] | 8 | 2 | [
[
0.16086560487747192,
0.32173120975494385,
0.25
],
[
0.6782687902450562,
0.8391343951225281,
0.25
],
[
0.16086560487747192,
0.8391343951225281,
0.25
],
[
0.8391343951225281,
0.6782687902450562,
0.75
],
[
0.32173120975494385,
0.1608656048774719... | {
"a": 4.77756404876709,
"b": 4.77756404876709,
"c": 3.756812572479248,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Be3Ru | hard_negative | false | null | 0 | 0.024404 | -0.310026 | true | [
"metallic"
] | null |
mp-984699 | [
"Sr",
"Ba"
] | [
56,
56,
38,
38,
38,
38,
38,
38
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.16502827405929565,
0.3300565481185913,
0.25
],
[
0.6699434518814087,
0.8349717259407043,
0.25
],
[
0.16502827405929565,
0.8349717259407043,
... | {
"a": 8.76061725616455,
"b": 8.76061725616455,
"c": 7.118805885314941,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | BaSr3 | hard_negative | false | null | 0 | 0.025372 | 0.021909 | true | [
"metallic"
] | null |
mp-984725 | [
"Ba",
"Tl"
] | [
56,
56,
81,
81,
81,
81,
81,
81
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.146879643201828,
0.293759286403656,
0.25
],
[
0.706240713596344,
0.8531203866004944,
0.25
],
[
0.146879643201828,
0.8531203866004944,
0.... | {
"a": 7.822203636169434,
"b": 7.822203636169434,
"c": 5.083938121795654,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | BaTl3 | hard_negative | false | null | 0 | 0.002586 | -0.289495 | true | [
"metallic"
] | null |
mp-984744 | [
"Ca",
"Tl"
] | [
20,
20,
20,
20,
20,
20,
81,
81
] | 8 | 2 | [
[
0.17632734775543213,
0.35265469551086426,
0.25
],
[
0.6473453044891357,
0.8236726522445679,
0.25
],
[
0.17632734775543213,
0.8236726522445679,
0.25
],
[
0.8236726522445679,
0.6473453044891357,
0.75
],
[
0.35265469551086426,
0.1763273477554321... | {
"a": 7.375839710235596,
"b": 7.375839710235596,
"c": 5.568697929382324,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Ca3Tl | hard_negative | false | null | 0 | 0 | -0.270518 | true | [
"metallic"
] | null |
mp-984754 | [
"Pm",
"Ho"
] | [
61,
61,
67,
67,
67,
67,
67,
67
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.16526009142398834,
0.3305201828479767,
0.25
],
[
0.6694798469543457,
0.8347399234771729,
0.25
],
[
0.16526009142398834,
0.8347399234771729,
... | {
"a": 7.300995349884033,
"b": 7.300995349884033,
"c": 5.616143703460693,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | PmHo3 | hard_negative | false | null | 0 | 0.011891 | 0.011891 | true | [
"metallic"
] | null |
mp-984765 | [
"Te",
"Ba"
] | [
56,
56,
56,
56,
56,
56,
52,
52
] | 8 | 2 | [
[
0.3550879955291748,
0.1775439977645874,
0.75
],
[
0.8224560022354126,
0.1775439977645874,
0.75
],
[
0.8224560022354126,
0.6449120044708252,
0.75
],
[
0.6449120044708252,
0.8224560022354126,
0.25
],
[
0.1775439977645874,
0.8224560022354126,
... | {
"a": 7.9810638427734375,
"b": 7.9810638427734375,
"c": 6.237486839294434,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Ba3Te | hard_negative | false | null | 0 | 0.353252 | -0.648536 | true | [
"metallic"
] | null |
mp-984873 | [
"Al",
"Fe"
] | [
13,
13,
13,
13,
13,
13,
26,
26
] | 8 | 2 | [
[
0.3426060080528259,
0.17130300402641296,
0.75
],
[
0.8286970257759094,
0.17130300402641296,
0.75
],
[
0.8286970257759094,
0.6573939919471741,
0.75
],
[
0.6573939919471741,
0.8286970257759094,
0.25
],
[
0.17130300402641296,
0.8286970257759094,... | {
"a": 5.374975681304932,
"b": 5.374975681304932,
"c": 4.373848915100098,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Al3Fe | hard_negative | false | null | 0 | 0.172696 | -0.154062 | true | [
"metallic"
] | null |
mp-985284 | [
"Ce",
"Pa"
] | [
58,
58,
58,
58,
58,
58,
91,
91
] | 8 | 2 | [
[
0.16975699365139008,
0.33951398730278015,
0.25
],
[
0.16975699365139008,
0.8302429914474487,
0.25
],
[
0.6604859828948975,
0.8302429914474487,
0.25
],
[
0.8302429914474487,
0.6604859828948975,
0.75
],
[
0.8302429914474487,
0.16975699365139008... | {
"a": 6.505978107452393,
"b": 6.505978107452393,
"c": 5.665678024291992,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Ce3Pa | hard_negative | false | null | 0 | 0.11435 | 0.11435 | true | [
"metallic"
] | null |
mp-985287 | [
"Ag",
"Au"
] | [
47,
47,
79,
79,
79,
79,
79,
79
] | 8 | 2 | [
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.3345314860343933,
0.16726574301719666,
0.75
],
[
0.832734227180481,
0.16726574301719666,
0.75
],
[
0.832734227180481,
0.6654685139656067,
... | {
"a": 5.778217792510986,
"b": 5.778217792510986,
"c": 4.8629984855651855,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | AgAu3 | hard_negative | false | null | 0 | 0.01118 | -0.053705 | true | [
"metallic"
] | null |
mp-985288 | [
"As",
"W"
] | [
33,
33,
33,
33,
33,
33,
74,
74
] | 8 | 2 | [
[
0.37414100766181946,
0.18707050383090973,
0.75
],
[
0.8129295110702515,
0.18707050383090973,
0.75
],
[
0.8129295110702515,
0.6258590221405029,
0.75
],
[
0.6258590221405029,
0.8129295110702515,
0.25
],
[
0.18707050383090973,
0.8129295110702515... | {
"a": 6.061816215515137,
"b": 6.061816215515137,
"c": 4.612785816192627,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | As3W | hard_negative | false | null | 0 | 0.663019 | 0.605038 | true | [
"metallic"
] | null |
mp-985291 | [
"Hg",
"Ac"
] | [
89,
89,
89,
89,
89,
89,
80,
80
] | 8 | 2 | [
[
0.35193800926208496,
0.17596900463104248,
0.75
],
[
0.8240309953689575,
0.17596900463104248,
0.75
],
[
0.8240309953689575,
0.648061990737915,
0.75
],
[
0.648061990737915,
0.8240309953689575,
0.25
],
[
0.17596900463104248,
0.8240309953689575,
... | {
"a": 7.7049560546875,
"b": 7.7049560546875,
"c": 5.912549018859863,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Ac3Hg | hard_negative | false | null | 0 | 0.067723 | -0.091357 | true | [
"metallic"
] | null |
mp-985294 | [
"Er",
"Ac"
] | [
89,
89,
89,
89,
89,
89,
68,
68
] | 8 | 2 | [
[
0.3392550051212311,
0.16962750256061554,
0.75
],
[
0.8303725123405457,
0.16962750256061554,
0.75
],
[
0.8303725123405457,
0.6607450246810913,
0.75
],
[
0.6607450246810913,
0.8303725123405457,
0.25
],
[
0.16962750256061554,
0.8303725123405457,... | {
"a": 7.816836357116699,
"b": 7.816836357116699,
"c": 6.258408069610596,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Ac3Er | hard_negative | false | null | 0 | 0.071818 | 0.071818 | true | [
"metallic"
] | null |
mp-985302 | [
"Pr",
"Ac"
] | [
89,
89,
89,
89,
89,
89,
59,
59
] | 8 | 2 | [
[
0.16825509071350098,
0.33651018142700195,
0.25
],
[
0.663489818572998,
0.831744909286499,
0.25
],
[
0.16825509071350098,
0.831744909286499,
0.25
],
[
0.831744909286499,
0.663489818572998,
0.75
],
[
0.33651018142700195,
0.16825509071350098,
... | {
"a": 8.010202407836914,
"b": 8.010202407836914,
"c": 6.3588056564331055,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Ac3Pr | hard_negative | false | null | 0 | 0.0178 | 0.0178 | true | [
"metallic"
] | null |
mp-985303 | [
"Ac",
"Th"
] | [
89,
89,
89,
89,
89,
89,
90,
90
] | 8 | 2 | [
[
0.34132200479507446,
0.17066100239753723,
0.75
],
[
0.8293390274047852,
0.17066100239753723,
0.75
],
[
0.8293390274047852,
0.6586779952049255,
0.75
],
[
0.6586779952049255,
0.8293390274047852,
0.25
],
[
0.17066100239753723,
0.8293390274047852... | {
"a": 7.779495716094971,
"b": 7.779495716094971,
"c": 6.322327136993408,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Ac3Th | hard_negative | false | null | 0 | 0.129703 | 0.129703 | true | [
"metallic"
] | null |
mp-985305 | [
"In",
"Ac"
] | [
89,
89,
89,
89,
89,
89,
49,
49
] | 8 | 2 | [
[
0.17718903720378876,
0.3543780744075775,
0.25
],
[
0.6456218957901001,
0.82281094789505,
0.25
],
[
0.17718903720378876,
0.82281094789505,
0.25
],
[
0.82281094789505,
0.6456218957901001,
0.75
],
[
0.3543780744075775,
0.17718903720378876,
0... | {
"a": 7.726781845092773,
"b": 7.726781845092773,
"c": 5.980658531188965,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Ac3In | hard_negative | false | null | 0 | 0 | -0.250224 | true | [
"metallic"
] | null |
mp-985437 | [
"Er",
"Lu"
] | [
68,
68,
71,
71,
71,
71,
71,
71
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.16625483334064484,
0.3325096666812897,
0.25
],
[
0.6674903035163879,
0.8337451815605164,
0.25
],
[
0.16625483334064484,
0.8337451815605164,
... | {
"a": 7.070101737976074,
"b": 7.070101737976074,
"c": 5.4647345542907715,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | ErLu3 | hard_negative | false | null | 0 | 0.004061 | 0.004061 | true | [
"metallic"
] | null |
mp-985475 | [
"Fe",
"Mo"
] | [
26,
26,
26,
26,
26,
26,
42,
42
] | 8 | 2 | [
[
0.16079600155353546,
0.3215920031070709,
0.25
],
[
0.16079600155353546,
0.8392040133476257,
0.25
],
[
0.6784080266952515,
0.8392040133476257,
0.25
],
[
0.8392040133476257,
0.6784080266952515,
0.75
],
[
0.8392040133476257,
0.16079600155353546,... | {
"a": 5.128984451293945,
"b": 5.128984451293945,
"c": 4.109243869781494,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Fe3Mo | hard_negative | false | null | 0 | 0.08415 | 0.081491 | true | [
"metallic"
] | null |
mp-985506 | [
"Tl",
"Ac"
] | [
89,
89,
89,
89,
89,
89,
81,
81
] | 8 | 2 | [
[
0.17724911868572235,
0.3544982373714447,
0.25
],
[
0.6455017924308777,
0.8227508664131165,
0.25
],
[
0.17724911868572235,
0.8227508664131165,
0.25
],
[
0.8227508664131165,
0.6455017924308777,
0.75
],
[
0.3544982373714447,
0.17724911868572235,... | {
"a": 7.764830589294434,
"b": 7.764830589294434,
"c": 5.922165870666504,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Ac3Tl | hard_negative | false | null | 0 | 0 | -0.163814 | true | [
"metallic"
] | null |
mp-985540 | [
"La",
"Ac"
] | [
89,
89,
89,
89,
89,
89,
57,
57
] | 8 | 2 | [
[
0.8318799138069153,
0.16812007129192352,
0.75
],
[
0.33624014258384705,
0.16812007129192352,
0.75
],
[
0.8318799138069153,
0.6637598872184753,
0.75
],
[
0.16812007129192352,
0.8318799138069153,
0.25
],
[
0.6637598872184753,
0.8318799138069153... | {
"a": 8.021584510803223,
"b": 8.021584510803223,
"c": 6.506244659423828,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Ac3La | hard_negative | false | null | 0 | 0.024142 | 0.024142 | true | [
"metallic"
] | null |
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