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-1186521 | [
"Pm",
"Ho"
] | [
61,
61,
61,
61,
61,
61,
67,
67
] | 8 | 2 | [
[
0.33541780710220337,
0.16770890355110168,
0.75
],
[
0.8322911262512207,
0.16770890355110168,
0.75
],
[
0.8322911262512207,
0.6645821928977966,
0.75
],
[
0.6645821928977966,
0.8322911262512207,
0.25
],
[
0.16770890355110168,
0.8322911262512207... | {
"a": 7.387671947479248,
"b": 7.387671947479248,
"c": 5.770274639129639,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Pm3Ho | hard_negative | false | null | 0 | 0.02106 | 0.02106 | true | [
"metallic"
] | null |
mp-1186524 | [
"Pr",
"Dy"
] | [
59,
59,
66,
66,
66,
66,
66,
66
] | 8 | 2 | [
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.3279837369918823,
0.16399186849594116,
0.75
],
[
0.8360081315040588,
0.16399186849594116,
0.75
],
[
0.8360081315040588,
0.6720162630081177,
... | {
"a": 7.312625885009766,
"b": 7.312625885009766,
"c": 5.834338665008545,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | PrDy3 | hard_negative | false | null | 0 | 0.013651 | 0.013651 | true | [
"metallic"
] | null |
mp-1186525 | [
"Pr",
"Er"
] | [
59,
59,
68,
68,
68,
68,
68,
68
] | 8 | 2 | [
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.3290649950504303,
0.16453249752521515,
0.75
],
[
0.835467517375946,
0.16453249752521515,
0.75
],
[
0.835467517375946,
0.6709350347518921,
... | {
"a": 7.26237154006958,
"b": 7.26237154006958,
"c": 5.721513748168945,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | PrEr3 | hard_negative | false | null | 0 | 0.023841 | 0.023841 | true | [
"metallic"
] | null |
mp-1186527 | [
"Nd",
"Pm"
] | [
61,
61,
61,
61,
61,
61,
60,
60
] | 8 | 2 | [
[
0.16662849485874176,
0.3332569897174835,
0.25
],
[
0.16662849485874176,
0.8333715200424194,
0.25
],
[
0.6667429804801941,
0.8333715200424194,
0.25
],
[
0.8333715200424194,
0.6667429804801941,
0.75
],
[
0.8333715200424194,
0.16662849485874176,... | {
"a": 7.471610069274902,
"b": 7.471610069274902,
"c": 5.846614837646484,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Pm3Nd | hard_negative | false | null | 0 | 0.025454 | 0.025454 | true | [
"metallic"
] | null |
mp-1186531 | [
"Pr",
"Pm"
] | [
61,
61,
61,
61,
61,
61,
59,
59
] | 8 | 2 | [
[
0.3331942856311798,
0.1665971428155899,
0.75
],
[
0.8334028720855713,
0.1665971428155899,
0.75
],
[
0.8334028720855713,
0.6668056845664978,
0.75
],
[
0.6668056845664978,
0.8334028720855713,
0.25
],
[
0.1665971428155899,
0.8334028720855713,
... | {
"a": 7.491514205932617,
"b": 7.491514205932617,
"c": 5.86349630355835,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Pm3Pr | hard_negative | false | null | 0 | 0.030121 | 0.030121 | true | [
"metallic"
] | null |
mp-1186539 | [
"Ag",
"Pm"
] | [
61,
61,
47,
47,
47,
47,
47,
47
] | 8 | 2 | [
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.8501589298248291,
0.1498410552740097,
0.75
],
[
0.2996821105480194,
0.1498410552740097,
0.75
],
[
0.8501589298248291,
0.7003178596496582,
... | {
"a": 6.454862117767334,
"b": 6.454862117767334,
"c": 4.808811664581299,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | PmAg3 | hard_negative | false | null | 0 | 0 | -0.204133 | true | [
"metallic"
] | null |
mp-1186541 | [
"Pm",
"Sm"
] | [
61,
61,
61,
61,
61,
61,
62,
62
] | 8 | 2 | [
[
0.333381325006485,
0.1666906625032425,
0.75
],
[
0.8333093523979187,
0.1666906625032425,
0.75
],
[
0.8333093523979187,
0.6666186451911926,
0.75
],
[
0.6666186451911926,
0.8333093523979187,
0.25
],
[
0.1666906625032425,
0.8333093523979187,
... | {
"a": 7.438765525817871,
"b": 7.438765525817871,
"c": 5.825067043304443,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Pm3Sm | hard_negative | false | null | 0 | 0.02347 | 0.02347 | true | [
"metallic"
] | null |
mp-1186542 | [
"Pm",
"Tm"
] | [
61,
61,
61,
61,
61,
61,
69,
69
] | 8 | 2 | [
[
0.33547741174697876,
0.16773870587348938,
0.75
],
[
0.8322612643241882,
0.16773870587348938,
0.75
],
[
0.8322612643241882,
0.6645225882530212,
0.75
],
[
0.6645225882530212,
0.8322612643241882,
0.25
],
[
0.16773870587348938,
0.8322612643241882... | {
"a": 7.366974830627441,
"b": 7.366974830627441,
"c": 5.764088153839111,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Pm3Tm | hard_negative | false | null | 0 | 0.022029 | 0.020283 | true | [
"metallic"
] | null |
mp-1186543 | [
"Y",
"Pm"
] | [
61,
61,
61,
61,
61,
61,
39,
39
] | 8 | 2 | [
[
0.3334173858165741,
0.16670869290828705,
0.75
],
[
0.8332912921905518,
0.16670869290828705,
0.75
],
[
0.8332912921905518,
0.6665825843811035,
0.75
],
[
0.6665825843811035,
0.8332912921905518,
0.25
],
[
0.16670869290828705,
0.8332912921905518,... | {
"a": 7.42552375793457,
"b": 7.42552375793457,
"c": 5.812244415283203,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Pm3Y | hard_negative | false | null | 0 | 0.029007 | 0.029007 | true | [
"metallic"
] | null |
mp-1186544 | [
"Zr",
"Pm"
] | [
61,
61,
61,
61,
61,
61,
40,
40
] | 8 | 2 | [
[
0.3437950015068054,
0.1718975007534027,
0.75
],
[
0.8281025290489197,
0.1718975007534027,
0.75
],
[
0.8281025290489197,
0.6562049984931946,
0.75
],
[
0.6562049984931946,
0.8281025290489197,
0.25
],
[
0.1718975007534027,
0.8281025290489197,
... | {
"a": 7.103489875793457,
"b": 7.103489875793457,
"c": 5.745102882385254,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Pm3Zr | hard_negative | false | null | 0 | 0.131549 | 0.131549 | true | [
"metallic"
] | null |
mp-1186546 | [
"Zn",
"Pm"
] | [
61,
61,
61,
61,
61,
61,
30,
30
] | 8 | 2 | [
[
0.35763850808143616,
0.17881925404071808,
0.75
],
[
0.8211807608604431,
0.17881925404071808,
0.75
],
[
0.8211807608604431,
0.6423615217208862,
0.75
],
[
0.6423615217208862,
0.8211807608604431,
0.25
],
[
0.17881925404071808,
0.8211807608604431... | {
"a": 7.049520015716553,
"b": 7.049520015716553,
"c": 5.208977699279785,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Pm3Zn | hard_negative | false | null | 0 | 0.033476 | -0.078919 | true | [
"metallic"
] | null |
mp-1186547 | [
"Pr",
"Eu"
] | [
59,
59,
63,
63,
63,
63,
63,
63
] | 8 | 2 | [
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.338672012090683,
0.1693360060453415,
0.75
],
[
0.8306639790534973,
0.1693360060453415,
0.75
],
[
0.8306639790534973,
0.6613280177116394,
... | {
"a": 7.753042221069336,
"b": 7.753042221069336,
"c": 6.259771823883057,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | PrEu3 | hard_negative | false | null | 0 | 0.054206 | 0.054206 | true | [
"metallic"
] | null |
mp-1186548 | [
"Pm",
"Bi"
] | [
61,
61,
83,
83,
83,
83,
83,
83
] | 8 | 2 | [
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.3498310446739197,
0.17491552233695984,
0.75
],
[
0.8250845074653625,
0.17491552233695984,
0.75
],
[
0.8250845074653625,
0.6501689553260803,
... | {
"a": 6.896903038024902,
"b": 6.896903038024902,
"c": 6.001842975616455,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | PmBi3 | hard_negative | false | null | 0 | 0.020669 | -0.439253 | true | [
"metallic"
] | null |
mp-1186554 | [
"Pm",
"Eu"
] | [
61,
61,
61,
61,
61,
61,
63,
63
] | 8 | 2 | [
[
0.32675498723983765,
0.16337749361991882,
0.75
],
[
0.8366224765777588,
0.16337749361991882,
0.75
],
[
0.8366224765777588,
0.6732450127601624,
0.75
],
[
0.6732450127601624,
0.8366224765777588,
0.25
],
[
0.16337749361991882,
0.8366224765777588... | {
"a": 7.418390274047852,
"b": 7.418390274047852,
"c": 5.988935947418213,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Pm3Eu | hard_negative | false | null | 0 | 0.069209 | 0.069209 | true | [
"metallic"
] | null |
mp-1186561 | [
"Cd",
"Pm"
] | [
61,
61,
48,
48,
48,
48,
48,
48
] | 8 | 2 | [
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.8421974778175354,
0.1578024923801422,
0.75
],
[
0.3156049847602844,
0.1578024923801422,
0.75
],
[
0.8421974778175354,
0.6843950152397156,
... | {
"a": 6.735536575317383,
"b": 6.735536575317383,
"c": 4.947120666503906,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | PmCd3 | hard_negative | false | null | 0 | 0.000359 | -0.348216 | true | [
"metallic"
] | null |
mp-1186565 | [
"Pm",
"Dy"
] | [
61,
61,
66,
66,
66,
66,
66,
66
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.16585463285446167,
0.33170926570892334,
0.25
],
[
0.16585463285446167,
0.8341453671455383,
0.25
],
[
0.6682907342910767,
0.8341453671455383,... | {
"a": 7.285964012145996,
"b": 7.285964012145996,
"c": 5.686964511871338,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | PmDy3 | hard_negative | false | null | 0 | 0.016163 | 0.016163 | true | [
"metallic"
] | null |
mp-1186568 | [
"Pm",
"Er"
] | [
61,
61,
68,
68,
68,
68,
68,
68
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.16494935750961304,
0.3298987150192261,
0.25
],
[
0.16494935750961304,
0.835050642490387,
0.25
],
[
0.6701012849807739,
0.835050642490387,
... | {
"a": 7.197578430175781,
"b": 7.197578430175781,
"c": 5.7563276290893555,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | PmEr3 | hard_negative | false | null | 0 | 0.005687 | 0.005687 | true | [
"metallic"
] | null |
mp-1186572 | [
"Pm",
"Eu"
] | [
61,
61,
63,
63,
63,
63,
63,
63
] | 8 | 2 | [
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.3391079902648926,
0.1695539951324463,
0.75
],
[
0.8304460048675537,
0.1695539951324463,
0.75
],
[
0.8304460048675537,
0.6608920097351074,
... | {
"a": 7.639309883117676,
"b": 7.639309883117676,
"c": 6.175876140594482,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | PmEu3 | hard_negative | false | null | 0 | 0.06475 | 0.06475 | true | [
"metallic"
] | null |
mp-1186578 | [
"Pm",
"Np"
] | [
61,
61,
61,
61,
61,
61,
93,
93
] | 8 | 2 | [
[
0.1692200005054474,
0.3384400010108948,
0.25
],
[
0.1692200005054474,
0.830780029296875,
0.25
],
[
0.6615599989891052,
0.830780029296875,
0.25
],
[
0.830780029296875,
0.6615599989891052,
0.75
],
[
0.830780029296875,
0.1692200005054474,
0.... | {
"a": 7.1667399406433105,
"b": 7.1667399406433105,
"c": 5.740270137786865,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Pm3Np | hard_negative | false | null | 0 | 0.387695 | 0.387695 | true | [
"metallic"
] | null |
mp-1186581 | [
"Ge",
"Pm"
] | [
61,
61,
32,
32,
32,
32,
32,
32
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.14441287517547607,
0.28882575035095215,
0.25
],
[
0.7111742496490479,
0.8555871248245239,
0.25
],
[
0.14441287517547607,
0.8555871248245239,... | {
"a": 6.1951003074646,
"b": 6.1951003074646,
"c": 5.052623271942139,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | PmGe3 | hard_negative | false | null | 0 | 0 | -0.383558 | true | [
"metallic"
] | null |
mp-1186605 | [
"Pm",
"Lu"
] | [
61,
61,
71,
71,
71,
71,
71,
71
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.16452130675315857,
0.32904261350631714,
0.25
],
[
0.16452130675315857,
0.835478663444519,
0.25
],
[
0.6709573864936829,
0.835478663444519,
... | {
"a": 7.119223117828369,
"b": 7.119223117828369,
"c": 5.669637680053711,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | PmLu3 | hard_negative | false | null | 0 | 0 | -0.008689 | true | [
"metallic"
] | null |
mp-1186612 | [
"Mg",
"Pm"
] | [
61,
61,
12,
12,
12,
12,
12,
12
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3221885859966278,
0.1610942929983139,
0.75
],
[
0.8389056921005249,
0.6778113842010498,
0.75
],
[
0.8389056921005249,
0.1610942929983139,
... | {
"a": 6.7855224609375,
"b": 6.7855224609375,
"c": 5.179075241088867,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | PmMg3 | hard_negative | false | null | 0 | 0.037669 | -0.058459 | true | [
"metallic"
] | null |
mp-1186625 | [
"Mn",
"Pm"
] | [
61,
61,
25,
25,
25,
25,
25,
25
] | 8 | 2 | [
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.29106199741363525,
0.14553099870681763,
0.75
],
[
0.8544690012931824,
0.14553099870681763,
0.75
],
[
0.8544690012931824,
0.7089380025863647,... | {
"a": 6.055191993713379,
"b": 6.055191993713379,
"c": 4.638747215270996,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | PmMn3 | hard_negative | false | null | 0 | 0.360535 | 0.360535 | true | [
"metallic"
] | null |
mp-1186636 | [
"Rh",
"Pm"
] | [
61,
61,
45,
45,
45,
45,
45,
45
] | 8 | 2 | [
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.3066186308860779,
0.15330931544303894,
0.75
],
[
0.8466906547546387,
0.15330931544303894,
0.75
],
[
0.8466906547546387,
0.6933813691139221,
... | {
"a": 5.883185863494873,
"b": 5.883185863494873,
"c": 4.5900559425354,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | PmRh3 | hard_negative | false | null | 0 | 0.164599 | -0.39282 | true | [
"metallic"
] | null |
mp-1186638 | [
"S",
"Pm"
] | [
61,
61,
16,
16,
16,
16,
16,
16
] | 8 | 2 | [
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.35177499055862427,
0.17588749527931213,
0.75
],
[
0.8241124749183655,
0.17588749527931213,
0.75
],
[
0.8241124749183655,
0.6482250094413757,... | {
"a": 5.717479705810547,
"b": 5.717479705810547,
"c": 5.675249099731445,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | PmS3 | hard_negative | false | null | 0 | 0.374599 | -1.141467 | true | [
"sulfide",
"metallic"
] | null |
mp-1186647 | [
"Pm",
"Sm"
] | [
61,
61,
62,
62,
62,
62,
62,
62
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.16653324663639069,
0.33306649327278137,
0.25
],
[
0.16653324663639069,
0.8334667682647705,
0.25
],
[
0.6669334769248962,
0.8334667682647705,... | {
"a": 7.40892219543457,
"b": 7.40892219543457,
"c": 5.80893611907959,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | PmSm3 | hard_negative | false | null | 0 | 0.02198 | 0.02198 | true | [
"metallic"
] | null |
mp-1186668 | [
"Pm",
"Tm"
] | [
61,
61,
69,
69,
69,
69,
69,
69
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.1647176593542099,
0.3294353187084198,
0.25
],
[
0.1647176593542099,
0.8352823257446289,
0.25
],
[
0.6705646514892578,
0.8352823257446289,
... | {
"a": 7.168362140655518,
"b": 7.168362140655518,
"c": 5.733347415924072,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | PmTm3 | hard_negative | false | null | 0 | 0 | -0.005237 | true | [
"metallic"
] | null |
mp-1186676 | [
"Y",
"Pm"
] | [
61,
61,
39,
39,
39,
39,
39,
39
] | 8 | 2 | [
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.33120858669281006,
0.16560429334640503,
0.75
],
[
0.834395706653595,
0.16560429334640503,
0.75
],
[
0.834395706653595,
0.6687914133071899,
... | {
"a": 7.336726665496826,
"b": 7.336726665496826,
"c": 5.888765335083008,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | PmY3 | hard_negative | false | null | 0 | 0.009372 | 0.009372 | true | [
"metallic"
] | null |
mp-1186700 | [
"Br",
"Pr"
] | [
59,
59,
59,
59,
59,
59,
35,
35
] | 8 | 2 | [
[
0.33897000551223755,
0.16948500275611877,
0.75
],
[
0.8305150270462036,
0.16948500275611877,
0.75
],
[
0.8305150270462036,
0.6610299944877625,
0.75
],
[
0.6610299944877625,
0.8305150270462036,
0.25
],
[
0.16948500275611877,
0.8305150270462036... | {
"a": 7.216427803039551,
"b": 7.216427803039551,
"c": 5.597815036773682,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Pr3Br | hard_negative | false | null | 0 | 0.514596 | -0.264665 | true | [
"halide",
"metallic"
] | null |
mp-1186701 | [
"Pr",
"Au"
] | [
59,
59,
59,
59,
59,
59,
79,
79
] | 8 | 2 | [
[
0.35408899188041687,
0.17704449594020844,
0.75
],
[
0.8229554891586304,
0.17704449594020844,
0.75
],
[
0.8229554891586304,
0.6459109783172607,
0.75
],
[
0.6459109783172607,
0.8229554891586304,
0.25
],
[
0.17704449594020844,
0.8229554891586304... | {
"a": 7.110360145568848,
"b": 7.110360145568848,
"c": 5.385903835296631,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Pr3Au | hard_negative | false | null | 0 | 0.188774 | -0.207314 | true | [
"metallic"
] | null |
mp-1186704 | [
"Ag",
"Pr"
] | [
59,
59,
59,
59,
59,
59,
47,
47
] | 8 | 2 | [
[
0.35117000341415405,
0.17558500170707703,
0.75
],
[
0.8244150280952454,
0.17558500170707703,
0.75
],
[
0.8244150280952454,
0.648829996585846,
0.75
],
[
0.648829996585846,
0.8244150280952454,
0.25
],
[
0.17558500170707703,
0.8244150280952454,
... | {
"a": 7.260965824127197,
"b": 7.260965824127197,
"c": 5.38850212097168,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Pr3Ag | hard_negative | false | null | 0 | 0.149047 | 0.03315 | true | [
"metallic"
] | null |
mp-1186713 | [
"Pr",
"Dy"
] | [
59,
59,
59,
59,
59,
59,
66,
66
] | 8 | 2 | [
[
0.3359713554382324,
0.1679856777191162,
0.75
],
[
0.8320143222808838,
0.1679856777191162,
0.75
],
[
0.8320143222808838,
0.6640286445617676,
0.75
],
[
0.6640286445617676,
0.8320143222808838,
0.25
],
[
0.1679856777191162,
0.8320143222808838,
... | {
"a": 7.49787712097168,
"b": 7.49787712097168,
"c": 5.873983383178711,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Pr3Dy | hard_negative | false | null | 0 | 0.040805 | 0.040805 | true | [
"metallic"
] | null |
mp-1186714 | [
"Sm",
"Eu"
] | [
62,
62,
62,
62,
62,
62,
63,
63
] | 8 | 2 | [
[
0.32753199338912964,
0.16376599669456482,
0.75
],
[
0.8362339735031128,
0.16376599669456482,
0.75
],
[
0.8362339735031128,
0.6724680066108704,
0.75
],
[
0.6724680066108704,
0.8362339735031128,
0.25
],
[
0.16376599669456482,
0.8362339735031128... | {
"a": 7.406456470489502,
"b": 7.406456470489502,
"c": 5.968568801879883,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Sm3Eu | hard_negative | false | null | 0 | 0.076258 | 0.076258 | true | [
"metallic"
] | null |
mp-1186720 | [
"Pr",
"Ho"
] | [
59,
59,
59,
59,
59,
59,
67,
67
] | 8 | 2 | [
[
0.33628174662590027,
0.16814087331295013,
0.75
],
[
0.8318591117858887,
0.16814087331295013,
0.75
],
[
0.8318591117858887,
0.6637182831764221,
0.75
],
[
0.6637182831764221,
0.8318591117858887,
0.25
],
[
0.16814087331295013,
0.8318591117858887... | {
"a": 7.470635890960693,
"b": 7.470635890960693,
"c": 5.894463539123535,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Pr3Ho | hard_negative | false | null | 0 | 0.041276 | 0.041276 | true | [
"metallic"
] | null |
mp-1186721 | [
"Pr",
"Lu"
] | [
59,
59,
59,
59,
59,
59,
71,
71
] | 8 | 2 | [
[
0.3387939929962158,
0.1693969964981079,
0.75
],
[
0.8306030035018921,
0.1693969964981079,
0.75
],
[
0.8306030035018921,
0.6612060070037842,
0.75
],
[
0.6612060070037842,
0.8306030035018921,
0.25
],
[
0.1693969964981079,
0.8306030035018921,
... | {
"a": 7.464366436004639,
"b": 7.464366436004639,
"c": 5.855976581573486,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Pr3Lu | hard_negative | false | null | 0 | 0.033373 | 0.033373 | true | [
"metallic"
] | null |
mp-1186730 | [
"Sc",
"Pr"
] | [
59,
59,
59,
59,
59,
59,
21,
21
] | 8 | 2 | [
[
0.3423512876033783,
0.17117564380168915,
0.75
],
[
0.8288243412971497,
0.6576486825942993,
0.75
],
[
0.8288243412971497,
0.17117564380168915,
0.75
],
[
0.6576486825942993,
0.8288243412971497,
0.25
],
[
0.17117564380168915,
0.8288243412971497,... | {
"a": 7.3550286293029785,
"b": 7.3550286293029785,
"c": 5.762073040008545,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Pr3Sc | hard_negative | false | null | 0 | 0.067406 | 0.067406 | true | [
"metallic"
] | null |
mp-1186731 | [
"Si",
"Pr"
] | [
59,
59,
59,
59,
59,
59,
14,
14
] | 8 | 2 | [
[
0.18255800008773804,
0.3651160001754761,
0.25
],
[
0.6348839998245239,
0.817441999912262,
0.25
],
[
0.18255800008773804,
0.817441999912262,
0.25
],
[
0.817441999912262,
0.6348839998245239,
0.75
],
[
0.3651160001754761,
0.18255800008773804,
... | {
"a": 7.152283668518066,
"b": 7.152283668518066,
"c": 5.130277156829834,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Pr3Si | hard_negative | false | null | 0 | 0.156097 | -0.201846 | true | [
"metallic"
] | null |
mp-1186732 | [
"Pr",
"Pa"
] | [
59,
59,
59,
59,
59,
59,
91,
91
] | 8 | 2 | [
[
0.17005500197410583,
0.34011000394821167,
0.25
],
[
0.17005500197410583,
0.8299450278282166,
0.25
],
[
0.6598899960517883,
0.8299450278282166,
0.25
],
[
0.8299450278282166,
0.6598899960517883,
0.75
],
[
0.8299450278282166,
0.17005500197410583... | {
"a": 7.184853553771973,
"b": 7.184853553771973,
"c": 5.904271125793457,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Pr3Pa | hard_negative | false | null | 0 | 0.32117 | 0.32117 | true | [
"metallic"
] | null |
mp-1186740 | [
"Zn",
"Pr"
] | [
59,
59,
59,
59,
59,
59,
30,
30
] | 8 | 2 | [
[
0.3535799980163574,
0.1767899990081787,
0.75
],
[
0.8232100009918213,
0.1767899990081787,
0.75
],
[
0.8232100009918213,
0.6464200019836426,
0.75
],
[
0.6464200019836426,
0.8232100009918213,
0.25
],
[
0.1767899990081787,
0.8232100009918213,
... | {
"a": 7.135284423828125,
"b": 7.135284423828125,
"c": 5.406351089477539,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Pr3Zn | hard_negative | false | null | 0 | 0.118506 | -0.031001 | true | [
"metallic"
] | null |
mp-1186741 | [
"Pr",
"Tm"
] | [
59,
59,
59,
59,
59,
59,
69,
69
] | 8 | 2 | [
[
0.33803683519363403,
0.16901841759681702,
0.75
],
[
0.8309816122055054,
0.16901841759681702,
0.75
],
[
0.8309816122055054,
0.661963164806366,
0.75
],
[
0.661963164806366,
0.8309816122055054,
0.25
],
[
0.16901841759681702,
0.8309816122055054,
... | {
"a": 7.471707820892334,
"b": 7.471707820892334,
"c": 5.887801170349121,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Pr3Tm | hard_negative | false | null | 0 | 0.036455 | 0.036455 | true | [
"metallic"
] | null |
mp-1186743 | [
"Zr",
"Pr"
] | [
59,
59,
59,
59,
59,
59,
40,
40
] | 8 | 2 | [
[
0.34424498677253723,
0.17212249338626862,
0.75
],
[
0.8278775215148926,
0.17212249338626862,
0.75
],
[
0.8278775215148926,
0.6557549834251404,
0.75
],
[
0.6557549834251404,
0.8278775215148926,
0.25
],
[
0.17212249338626862,
0.8278775215148926... | {
"a": 7.16879415512085,
"b": 7.16879415512085,
"c": 5.8625969886779785,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Pr3Zr | hard_negative | false | null | 0 | 0.160692 | 0.160692 | true | [
"metallic"
] | null |
mp-1186752 | [
"Pr",
"Ir"
] | [
59,
59,
77,
77,
77,
77,
77,
77
] | 8 | 2 | [
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.2981429994106293,
0.14907149970531464,
0.75
],
[
0.8509284853935242,
0.14907149970531464,
0.75
],
[
0.8509284853935242,
0.7018569707870483,
... | {
"a": 6.045278072357178,
"b": 6.045278072357178,
"c": 4.670051097869873,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | PrIr3 | hard_negative | false | null | 0 | 0.401787 | -0.16738 | true | [
"metallic"
] | null |
mp-1186754 | [
"In",
"Pr"
] | [
59,
59,
59,
59,
59,
59,
49,
49
] | 8 | 2 | [
[
0.17678023874759674,
0.3535604774951935,
0.25
],
[
0.17678023874759674,
0.8232197761535645,
0.25
],
[
0.6464394927024841,
0.8232197761535645,
0.25
],
[
0.8232197761535645,
0.6464394927024841,
0.75
],
[
0.8232197761535645,
0.17678023874759674,... | {
"a": 7.223361015319824,
"b": 7.223361015319824,
"c": 5.639405727386475,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Pr3In | hard_negative | false | null | 0 | 0.00978 | -0.349407 | true | [
"metallic"
] | null |
mp-1186776 | [
"Sr",
"Tl"
] | [
38,
38,
81,
81,
81,
81,
81,
81
] | 8 | 2 | [
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.31416767835617065,
0.15708383917808533,
0.75
],
[
0.8429161310195923,
0.15708383917808533,
0.75
],
[
0.8429161310195923,
0.6858323216438293,... | {
"a": 7.146480560302734,
"b": 7.146480560302734,
"c": 5.506145000457764,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | SrTl3 | hard_negative | false | null | 0 | 0.021081 | -0.30281 | true | [
"metallic"
] | null |
mp-1186780 | [
"Sr",
"Yb"
] | [
38,
38,
70,
70,
70,
70,
70,
70
] | 8 | 2 | [
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.3176336884498596,
0.1588168442249298,
0.75
],
[
0.8411831259727478,
0.1588168442249298,
0.75
],
[
0.8411831259727478,
0.6823663115501404,
... | {
"a": 7.3534440994262695,
"b": 7.3534440994262695,
"c": 5.8840508460998535,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | SrYb3 | hard_negative | false | null | 0 | 0.20517 | 0.20517 | true | [
"metallic"
] | null |
mp-1186781 | [
"Sr",
"Sn"
] | [
38,
38,
50,
50,
50,
50,
50,
50
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.14549992978572845,
0.2909998595714569,
0.25
],
[
0.7090001106262207,
0.8545000553131104,
0.25
],
[
0.14549992978572845,
0.8545000553131104,
... | {
"a": 7.025137901306152,
"b": 7.025137901306152,
"c": 5.602480411529541,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | SrSn3 | hard_negative | false | null | 0 | 0.033263 | -0.377932 | true | [
"metallic"
] | null |
mp-1186782 | [
"Sr",
"Th"
] | [
38,
38,
90,
90,
90,
90,
90,
90
] | 8 | 2 | [
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.3216339945793152,
0.1608169972896576,
0.75
],
[
0.83918297290802,
0.1608169972896576,
0.75
],
[
0.83918297290802,
0.6783660054206848,
0.... | {
"a": 7.376959800720215,
"b": 7.376959800720215,
"c": 5.974947929382324,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | SrTh3 | hard_negative | false | null | 0 | 0.326427 | 0.326427 | true | [
"metallic"
] | null |
mp-1186784 | [
"Y",
"Pr"
] | [
59,
59,
39,
39,
39,
39,
39,
39
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.835662305355072,
0.16433769464492798,
0.75
],
[
0.32867538928985596,
0.16433769464492798,
0.75
],
[
0.16433769464492798,
0.32867538928985596... | {
"a": 7.380823135375977,
"b": 7.380823135375977,
"c": 5.916224956512451,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | PrY3 | hard_negative | false | null | 0 | 0.021134 | 0.021134 | true | [
"metallic"
] | null |
mp-1186794 | [
"Pr",
"Gd"
] | [
59,
59,
59,
59,
59,
59,
64,
64
] | 8 | 2 | [
[
0.33786752820014954,
0.16893376410007477,
0.75
],
[
0.8310662508010864,
0.16893376410007477,
0.75
],
[
0.8310662508010864,
0.6621324419975281,
0.75
],
[
0.6621324419975281,
0.8310662508010864,
0.25
],
[
0.16893376410007477,
0.8310662508010864... | {
"a": 7.498849868774414,
"b": 7.498849868774414,
"c": 6.041028022766113,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Pr3Gd | hard_negative | false | null | 0 | 0.614815 | 0.614815 | true | [
"metallic"
] | null |
mp-1186809 | [
"Al",
"Pu"
] | [
94,
94,
13,
13,
13,
13,
13,
13
] | 8 | 2 | [
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.3004526197910309,
0.15022630989551544,
0.75
],
[
0.8497737050056458,
0.15022630989551544,
0.75
],
[
0.8497737050056458,
0.6995473504066467,
... | {
"a": 6.215200424194336,
"b": 6.215200424194336,
"c": 4.637057781219482,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | PuAl3 | hard_negative | false | null | 0 | 0.003167 | -0.403848 | true | [
"metallic"
] | null |
mp-1186810 | [
"H",
"Pu"
] | [
94,
94,
94,
94,
94,
94,
1,
1
] | 8 | 2 | [
[
0.18337349593639374,
0.3667469918727875,
0.25
],
[
0.6332529783248901,
0.8166264891624451,
0.25
],
[
0.18337349593639374,
0.8166264891624451,
0.25
],
[
0.8166264891624451,
0.6332529783248901,
0.75
],
[
0.3667469918727875,
0.18337349593639374,... | {
"a": 6.045690059661865,
"b": 6.045690059661865,
"c": 3.355786085128784,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Pu3H | hard_negative | false | null | 0 | 0.496995 | 0.269811 | true | [
"metallic"
] | null |
mp-1186811 | [
"Mg",
"Pu"
] | [
94,
94,
94,
94,
94,
94,
12,
12
] | 8 | 2 | [
[
0.3360939919948578,
0.1680469959974289,
0.75
],
[
0.8319529891014099,
0.1680469959974289,
0.75
],
[
0.8319529891014099,
0.6639059782028198,
0.75
],
[
0.1680469959974289,
0.3360939919948578,
0.25
],
[
0.1680469959974289,
0.8319529891014099,
... | {
"a": 6.710348129272461,
"b": 6.710348129272461,
"c": 5.382565021514893,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Pu3Mg | hard_negative | false | null | 0 | 0.212888 | 0.212888 | true | [
"metallic"
] | null |
mp-1186817 | [
"Zr",
"Pu"
] | [
94,
94,
94,
94,
94,
94,
40,
40
] | 8 | 2 | [
[
0.33807700872421265,
0.16903850436210632,
0.75
],
[
0.8309615254402161,
0.16903850436210632,
0.75
],
[
0.8309615254402161,
0.6619229912757874,
0.75
],
[
0.6619229912757874,
0.8309615254402161,
0.25
],
[
0.16903850436210632,
0.8309615254402161... | {
"a": 6.533377647399902,
"b": 6.533377647399902,
"c": 5.393046855926514,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Pu3Zr | hard_negative | false | null | 0 | 0.205181 | 0.205181 | true | [
"metallic"
] | null |
mp-1186818 | [
"Th",
"Pu"
] | [
94,
94,
94,
94,
94,
94,
90,
90
] | 8 | 2 | [
[
0.32704299688339233,
0.16352149844169617,
0.75
],
[
0.8364784717559814,
0.16352149844169617,
0.75
],
[
0.8364784717559814,
0.6729570031166077,
0.75
],
[
0.6729570031166077,
0.8364784717559814,
0.25
],
[
0.16352149844169617,
0.8364784717559814... | {
"a": 6.895959854125977,
"b": 6.895959854125977,
"c": 5.439355850219727,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Pu3Th | hard_negative | false | null | 0 | 0.209383 | 0.209383 | true | [
"metallic"
] | null |
mp-1186821 | [
"I",
"Pu"
] | [
94,
94,
94,
94,
94,
94,
53,
53
] | 8 | 2 | [
[
0.3272041380405426,
0.1636020690202713,
0.75
],
[
0.8363979458808899,
0.1636020690202713,
0.75
],
[
0.8363979458808899,
0.672795832157135,
0.75
],
[
0.672795832157135,
0.8363979458808899,
0.25
],
[
0.1636020690202713,
0.8363979458808899,
... | {
"a": 6.7018585205078125,
"b": 6.7018585205078125,
"c": 5.744463920593262,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Pu3I | hard_negative | false | null | 0 | 0.743665 | 0.318277 | true | [
"halide",
"metallic"
] | null |
mp-1186823 | [
"Pt",
"Pu"
] | [
94,
94,
78,
78,
78,
78,
78,
78
] | 8 | 2 | [
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.3247721195220947,
0.16238605976104736,
0.75
],
[
0.8376139402389526,
0.16238605976104736,
0.75
],
[
0.8376139402389526,
0.6752278804779053,
... | {
"a": 5.824117660522461,
"b": 5.824117660522461,
"c": 4.856813907623291,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | PuPt3 | hard_negative | false | null | 0 | 0.037044 | -0.561085 | true | [
"metallic"
] | null |
mp-1186833 | [
"Mn",
"Pu"
] | [
94,
94,
25,
25,
25,
25,
25,
25
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.16468949615955353,
0.32937899231910706,
0.25
],
[
0.6706209778785706,
0.8353105187416077,
0.25
],
[
0.16468949615955353,
0.8353105187416077,... | {
"a": 5.22939920425415,
"b": 5.22939920425415,
"c": 4.242847919464111,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | PuMn3 | hard_negative | false | null | 0 | 0.354695 | 0.354695 | true | [
"metallic"
] | null |
mp-1186836 | [
"Zn",
"Pu"
] | [
94,
94,
94,
94,
94,
94,
30,
30
] | 8 | 2 | [
[
0.17250250279903412,
0.34500500559806824,
0.25
],
[
0.6549950242042542,
0.8274974822998047,
0.25
],
[
0.17250250279903412,
0.8274974822998047,
0.25
],
[
0.8274974822998047,
0.6549950242042542,
0.75
],
[
0.34500500559806824,
0.1725025027990341... | {
"a": 6.481375217437744,
"b": 6.481375217437744,
"c": 5.2298150062561035,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Pu3Zn | hard_negative | false | null | 0 | 0.460846 | 0.430003 | true | [
"metallic"
] | null |
mp-1186840 | [
"Au",
"Pu"
] | [
94,
94,
94,
94,
94,
94,
79,
79
] | 8 | 2 | [
[
0.17230099439620972,
0.34460198879241943,
0.25
],
[
0.6553980112075806,
0.8276990056037903,
0.25
],
[
0.17230099439620972,
0.8276990056037903,
0.25
],
[
0.8276990056037903,
0.6553980112075806,
0.75
],
[
0.34460198879241943,
0.1723009943962097... | {
"a": 6.593008518218994,
"b": 6.593008518218994,
"c": 5.326383113861084,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Pu3Au | hard_negative | false | null | 0 | 0.033153 | -0.154465 | true | [
"metallic"
] | null |
mp-1186841 | [
"Rb",
"Dy"
] | [
37,
37,
37,
37,
37,
37,
66,
66
] | 8 | 2 | [
[
0.34461700916290283,
0.17230850458145142,
0.75
],
[
0.8276914954185486,
0.17230850458145142,
0.75
],
[
0.8276914954185486,
0.6553829908370972,
0.75
],
[
0.6553829908370972,
0.8276914954185486,
0.25
],
[
0.17230850458145142,
0.8276914954185486... | {
"a": 9.081585884094238,
"b": 9.081585884094238,
"c": 7.46682596206665,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Rb3Dy | hard_negative | false | null | 0 | 0.633603 | 0.633603 | true | [
"metallic"
] | null |
mp-1186844 | [
"Cr",
"Rb"
] | [
37,
37,
37,
37,
37,
37,
24,
24
] | 8 | 2 | [
[
0.353736013174057,
0.1768680065870285,
0.75
],
[
0.8231319785118103,
0.1768680065870285,
0.75
],
[
0.8231319785118103,
0.6462640166282654,
0.75
],
[
0.6462640166282654,
0.8231319785118103,
0.25
],
[
0.1768680065870285,
0.8231319785118103,
... | {
"a": 8.895358085632324,
"b": 8.895358085632324,
"c": 6.974316120147705,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Rb3Cr | hard_negative | false | null | 0 | 0.691647 | 0.691647 | true | [
"metallic"
] | null |
mp-1186846 | [
"Pt",
"Pb"
] | [
78,
78,
82,
82,
82,
82,
82,
82
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.19182750582695007,
0.38365501165390015,
0.25
],
[
0.6163449883460999,
0.8081725239753723,
0.25
],
[
0.19182750582695007,
0.8081725239753723,... | {
"a": 8.522547721862793,
"b": 8.522547721862793,
"c": 3.8860039710998535,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | PtPb3 | hard_negative | false | null | 0 | 0.124667 | -0.064486 | true | [
"metallic"
] | null |
mp-1186849 | [
"Ge",
"Rb"
] | [
37,
37,
37,
37,
37,
37,
32,
32
] | 8 | 2 | [
[
0.18561899662017822,
0.37123799324035645,
0.25
],
[
0.6287620067596436,
0.8143810033798218,
0.25
],
[
0.18561899662017822,
0.8143810033798218,
0.25
],
[
0.8143810033798218,
0.6287620067596436,
0.75
],
[
0.37123799324035645,
0.1856189966201782... | {
"a": 8.727934837341309,
"b": 8.727934837341309,
"c": 6.383646011352539,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Rb3Ge | hard_negative | false | null | 0 | 0.303724 | 0.207865 | true | [
"metallic"
] | null |
mp-1186851 | [
"Rb",
"Hf"
] | [
37,
37,
37,
37,
37,
37,
72,
72
] | 8 | 2 | [
[
0.35282599925994873,
0.17641299962997437,
0.75
],
[
0.8235870003700256,
0.17641299962997437,
0.75
],
[
0.8235870003700256,
0.6471740007400513,
0.75
],
[
0.6471740007400513,
0.8235870003700256,
0.25
],
[
0.17641299962997437,
0.8235870003700256... | {
"a": 8.791218757629395,
"b": 8.791218757629395,
"c": 6.994636058807373,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Rb3Hf | hard_negative | false | null | 0 | 1.177914 | 1.177914 | true | [
"metallic"
] | null |
mp-1186858 | [
"Rb",
"Nb"
] | [
37,
37,
37,
37,
37,
37,
41,
41
] | 8 | 2 | [
[
0.3573240041732788,
0.1786620020866394,
0.75
],
[
0.8213379979133606,
0.1786620020866394,
0.75
],
[
0.8213379979133606,
0.6426759958267212,
0.75
],
[
0.6426759958267212,
0.8213379979133606,
0.25
],
[
0.1786620020866394,
0.8213379979133606,
... | {
"a": 8.758675575256348,
"b": 8.758675575256348,
"c": 6.884714126586914,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Rb3Nb | hard_negative | false | null | 0 | 1.186609 | 1.186609 | true | [
"metallic"
] | null |
mp-1186860 | [
"Mg",
"Rb"
] | [
37,
37,
37,
37,
37,
37,
12,
12
] | 8 | 2 | [
[
0.35366299748420715,
0.17683149874210358,
0.75
],
[
0.8231685161590576,
0.6463369727134705,
0.75
],
[
0.8231685161590576,
0.17683149874210358,
0.75
],
[
0.17683149874210358,
0.8231685161590576,
0.25
],
[
0.17683149874210358,
0.353662997484207... | {
"a": 9.226346015930176,
"b": 9.226346015930176,
"c": 7.052787780761719,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Rb3Mg | hard_negative | false | null | 0 | 0.184832 | 0.184832 | true | [
"metallic"
] | null |
mp-1186861 | [
"Na",
"Rb"
] | [
37,
37,
37,
37,
37,
37,
11,
11
] | 8 | 2 | [
[
0.17299984395503998,
0.34599968791007996,
0.25
],
[
0.17299984395503998,
0.8270001411437988,
0.25
],
[
0.6540003418922424,
0.8270001411437988,
0.25
],
[
0.8270001411437988,
0.6540003418922424,
0.75
],
[
0.8270001411437988,
0.17299984395503998... | {
"a": 9.600086212158203,
"b": 9.600086212158203,
"c": 7.657447338104248,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Rb3Na | hard_negative | false | null | 0 | 0.044445 | 0.044445 | true | [
"metallic"
] | null |
mp-1186866 | [
"Rb",
"Ir"
] | [
37,
37,
37,
37,
37,
37,
77,
77
] | 8 | 2 | [
[
0.18856950104236603,
0.37713900208473206,
0.25
],
[
0.6228610277175903,
0.8114305138587952,
0.25
],
[
0.18856950104236603,
0.8114305138587952,
0.25
],
[
0.8114305138587952,
0.6228610277175903,
0.75
],
[
0.37713900208473206,
0.1885695010423660... | {
"a": 8.260729789733887,
"b": 8.260729789733887,
"c": 5.456966876983643,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Rb3Ir | hard_negative | false | null | 0 | 0.791171 | 0.791171 | true | [
"metallic"
] | null |
mp-1186900 | [
"Ge",
"Re"
] | [
75,
75,
75,
75,
75,
75,
32,
32
] | 8 | 2 | [
[
0.3387799859046936,
0.1693899929523468,
0.75
],
[
0.8306099772453308,
0.1693899929523468,
0.75
],
[
0.8306099772453308,
0.6612200140953064,
0.75
],
[
0.6612200140953064,
0.8306099772453308,
0.25
],
[
0.1693899929523468,
0.8306099772453308,
... | {
"a": 5.5557355880737305,
"b": 5.5557355880737305,
"c": 4.466541767120361,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Re3Ge | hard_negative | false | null | 0 | 0.375244 | 0.375244 | true | [
"metallic"
] | null |
mp-1186914 | [
"Ti",
"Rb"
] | [
37,
37,
37,
37,
37,
37,
22,
22
] | 8 | 2 | [
[
0.35219401121139526,
0.17609700560569763,
0.75
],
[
0.8239030241966248,
0.17609700560569763,
0.75
],
[
0.8239030241966248,
0.6478059887886047,
0.75
],
[
0.6478059887886047,
0.8239030241966248,
0.25
],
[
0.17609700560569763,
0.8239030241966248... | {
"a": 8.817960739135742,
"b": 8.817960739135742,
"c": 7.139872074127197,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Rb3Ti | hard_negative | false | null | 0 | 0.893218 | 0.893218 | true | [
"metallic"
] | null |
mp-1186918 | [
"Hf",
"Pu"
] | [
94,
94,
72,
72,
72,
72,
72,
72
] | 8 | 2 | [
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.3291420042514801,
0.16457100212574005,
0.75
],
[
0.8354290127754211,
0.16457100212574005,
0.75
],
[
0.8354290127754211,
0.6708580255508423,
... | {
"a": 6.366089820861816,
"b": 6.366089820861816,
"c": 5.146768093109131,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | PuHf3 | hard_negative | false | null | 0 | 0.081682 | 0.081682 | true | [
"metallic"
] | null |
mp-1186923 | [
"Rh",
"Re"
] | [
75,
75,
75,
75,
75,
75,
45,
45
] | 8 | 2 | [
[
0.16123048961162567,
0.32246097922325134,
0.25
],
[
0.677539050579071,
0.8387694954872131,
0.25
],
[
0.16123048961162567,
0.8387694954872131,
0.25
],
[
0.8387694954872131,
0.677539050579071,
0.75
],
[
0.32246097922325134,
0.16123048961162567,... | {
"a": 5.5255961418151855,
"b": 5.5255961418151855,
"c": 4.385063171386719,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Re3Rh | hard_negative | false | null | 0 | 0 | -0.1645 | true | [
"metallic"
] | null |
mp-1186926 | [
"Ru",
"Rh"
] | [
44,
44,
44,
44,
44,
44,
45,
45
] | 8 | 2 | [
[
0.16664472222328186,
0.3332894444465637,
0.25
],
[
0.6667105555534363,
0.8333553075790405,
0.25
],
[
0.16664472222328186,
0.8333553075790405,
0.25
],
[
0.8333553075790405,
0.6667105555534363,
0.75
],
[
0.3332894444465637,
0.16664472222328186,... | {
"a": 5.411330699920654,
"b": 5.411330699920654,
"c": 4.285416126251221,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Ru3Rh | hard_negative | false | null | 0 | 0 | -0.001109 | true | [
"metallic"
] | null |
mp-1186930 | [
"Pd",
"Sb"
] | [
51,
51,
46,
46,
46,
46,
46,
46
] | 8 | 2 | [
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.33493760228157043,
0.16746880114078522,
0.75
],
[
0.832531213760376,
0.16746880114078522,
0.75
],
[
0.832531213760376,
0.665062427520752,
... | {
"a": 5.698740005493164,
"b": 5.698740005493164,
"c": 4.636839389801025,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | SbPd3 | hard_negative | false | null | 0 | 0.070931 | -0.348343 | true | [
"metallic"
] | null |
mp-1186934 | [
"S",
"Cl"
] | [
16,
16,
16,
16,
16,
16,
17,
17
] | 8 | 2 | [
[
0.24070799350738525,
0.12035399675369263,
0.75
],
[
0.8796460032463074,
0.12035399675369263,
0.75
],
[
0.8796460032463074,
0.7592920064926147,
0.75
],
[
0.7592920064926147,
0.8796460032463074,
0.25
],
[
0.12035399675369263,
0.8796460032463074... | {
"a": 8.840723991394043,
"b": 8.840723991394043,
"c": 2.936168909072876,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | S3Cl | hard_negative | false | null | 0 | 0.31299 | 0.227528 | true | [
"sulfide",
"halide",
"metallic"
] | null |
mp-1186949 | [
"Sb",
"Pt"
] | [
51,
51,
78,
78,
78,
78,
78,
78
] | 8 | 2 | [
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.330608993768692,
0.165304496884346,
0.75
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[
0.8346955180168152,
0.165304496884346,
0.75
],
[
0.8346955180168152,
0.6693909764289856,
0... | {
"a": 5.68743371963501,
"b": 5.68743371963501,
"c": 4.938773155212402,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | SbPt3 | hard_negative | false | null | 0 | 0.169695 | -0.078844 | true | [
"metallic"
] | null |
mp-1186960 | [
"Sb",
"Pb"
] | [
51,
51,
82,
82,
82,
82,
82,
82
] | 8 | 2 | [
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.3399580121040344,
0.1699790060520172,
0.75
],
[
0.8300210237503052,
0.1699790060520172,
0.75
],
[
0.8300210237503052,
0.6600419878959656,
... | {
"a": 7.356419563293457,
"b": 7.356419563293457,
"c": 5.318408966064453,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | SbPb3 | hard_negative | false | null | 0 | 0.111616 | 0.111616 | true | [
"metallic"
] | null |
mp-1186963 | [
"Sc",
"As"
] | [
21,
21,
21,
21,
21,
21,
33,
33
] | 8 | 2 | [
[
0.3423140048980713,
0.17115700244903564,
0.75
],
[
0.8288429975509644,
0.17115700244903564,
0.75
],
[
0.8288429975509644,
0.6576859951019287,
0.75
],
[
0.6576859951019287,
0.8288429975509644,
0.25
],
[
0.17115700244903564,
0.8288429975509644,... | {
"a": 6.146428108215332,
"b": 6.146428108215332,
"c": 4.924177169799805,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Sc3As | hard_negative | false | null | 0 | 0.250798 | -0.570887 | true | [
"metallic"
] | null |
mp-1186964 | [
"Sc",
"Bi"
] | [
21,
21,
21,
21,
21,
21,
83,
83
] | 8 | 2 | [
[
0.3298270106315613,
0.16491350531578064,
0.75
],
[
0.8350865244865417,
0.16491350531578064,
0.75
],
[
0.8350865244865417,
0.6701729893684387,
0.75
],
[
0.6701729893684387,
0.8350865244865417,
0.25
],
[
0.16491350531578064,
0.8350865244865417,... | {
"a": 6.52834415435791,
"b": 6.52834415435791,
"c": 5.173581123352051,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Sc3Bi | hard_negative | false | null | 0 | 0.073282 | -0.382106 | true | [
"metallic"
] | null |
mp-1186968 | [
"Sc",
"Ga"
] | [
21,
21,
21,
21,
21,
21,
31,
31
] | 8 | 2 | [
[
0.3436906337738037,
0.17184531688690186,
0.75
],
[
0.8281546831130981,
0.17184531688690186,
0.75
],
[
0.8281546831130981,
0.6563093662261963,
0.75
],
[
0.6563093662261963,
0.8281546831130981,
0.25
],
[
0.17184531688690186,
0.8281546831130981,... | {
"a": 6.22550106048584,
"b": 6.22550106048584,
"c": 5.047005653381348,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Sc3Ga | hard_negative | false | null | 0 | 0.023406 | -0.374799 | true | [
"metallic"
] | null |
mp-1186974 | [
"Sc",
"Tl"
] | [
21,
21,
21,
21,
21,
21,
81,
81
] | 8 | 2 | [
[
0.16888131201267242,
0.33776262402534485,
0.25
],
[
0.6622374057769775,
0.8311187028884888,
0.25
],
[
0.16888131201267242,
0.8311187028884888,
0.25
],
[
0.8311187028884888,
0.6622374057769775,
0.75
],
[
0.33776262402534485,
0.1688813120126724... | {
"a": 6.391133785247803,
"b": 6.391133785247803,
"c": 5.239293098449707,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Sc3Tl | hard_negative | false | null | 0 | 0 | -0.279434 | true | [
"metallic"
] | null |
mp-1186975 | [
"Sc",
"Te"
] | [
21,
21,
21,
21,
21,
21,
52,
52
] | 8 | 2 | [
[
0.334293007850647,
0.1671465039253235,
0.75
],
[
0.8328534960746765,
0.1671465039253235,
0.75
],
[
0.8328534960746765,
0.665706992149353,
0.75
],
[
0.665706992149353,
0.8328534960746765,
0.25
],
[
0.1671465039253235,
0.8328534960746765,
0... | {
"a": 6.361700057983398,
"b": 6.361700057983398,
"c": 5.104362964630127,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Sc3Te | hard_negative | false | null | 0 | 0.195077 | -0.528387 | true | [
"metallic"
] | null |
mp-1186976 | [
"Sc",
"Sn"
] | [
21,
21,
21,
21,
21,
21,
50,
50
] | 8 | 2 | [
[
0.33810126781463623,
0.16905063390731812,
0.75
],
[
0.8309493660926819,
0.16905063390731812,
0.75
],
[
0.8309493660926819,
0.6618987321853638,
0.75
],
[
0.6618987321853638,
0.8309493660926819,
0.25
],
[
0.16905063390731812,
0.8309493660926819... | {
"a": 6.373602390289307,
"b": 6.373602390289307,
"c": 5.199338912963867,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Sc3Sn | hard_negative | false | null | 0 | 0 | -0.504634 | true | [
"metallic"
] | null |
mp-1186979 | [
"Sc",
"V"
] | [
21,
21,
21,
21,
21,
21,
23,
23
] | 8 | 2 | [
[
0.3425000011920929,
0.17125000059604645,
0.75
],
[
0.8287500143051147,
0.17125000059604645,
0.75
],
[
0.8287500143051147,
0.6575000286102295,
0.75
],
[
0.6575000286102295,
0.8287500143051147,
0.25
],
[
0.17125000059604645,
0.8287500143051147,... | {
"a": 6.334221839904785,
"b": 6.334221839904785,
"c": 4.923376083374023,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Sc3V | hard_negative | false | null | 0 | 0.1785 | 0.1785 | true | [
"metallic"
] | null |
mp-1186981 | [
"Sc",
"Os"
] | [
21,
21,
21,
21,
21,
21,
76,
76
] | 8 | 2 | [
[
0.17587299644947052,
0.35174599289894104,
0.25
],
[
0.17587299644947052,
0.8241270184516907,
0.25
],
[
0.6482539772987366,
0.8241270184516907,
0.25
],
[
0.8241270184516907,
0.6482539772987366,
0.75
],
[
0.8241270184516907,
0.17587299644947052... | {
"a": 6.27574348449707,
"b": 6.27574348449707,
"c": 4.646859169006348,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Sc3Os | hard_negative | false | null | 0 | 0.175238 | -0.173218 | true | [
"metallic"
] | null |
mp-1186984 | [
"Sc",
"Br"
] | [
21,
21,
35,
35,
35,
35,
35,
35
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.2159397304058075,
0.431879460811615,
0.25
],
[
0.568120539188385,
0.7840602397918701,
0.25
],
[
0.2159397304058075,
0.7840602397918701,
... | {
"a": 9.918699264526367,
"b": 9.918699264526367,
"c": 3.524291753768921,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | ScBr3 | general_inorganic | false | null | 2.2256 | 0 | -2.068735 | false | [
"halide"
] | null |
mp-1186986 | [
"Sc",
"Fe"
] | [
21,
21,
26,
26,
26,
26,
26,
26
] | 8 | 2 | [
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.29654499888420105,
0.14827249944210052,
0.75
],
[
0.8517274856567383,
0.14827249944210052,
0.75
],
[
0.8517274856567383,
0.7034549713134766,... | {
"a": 5.48698616027832,
"b": 5.48698616027832,
"c": 4.351953983306885,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | ScFe3 | hard_negative | false | null | 0 | 0.234231 | 0.028774 | true | [
"metallic"
] | null |
mp-1186987 | [
"O",
"Sc"
] | [
21,
21,
8,
8,
8,
8,
8,
8
] | 8 | 2 | [
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.3479369878768921,
0.17396849393844604,
0.75
],
[
0.826031506061554,
0.17396849393844604,
0.75
],
[
0.826031506061554,
0.6520630121231079,
... | {
"a": 4.367871284484863,
"b": 4.367871284484863,
"c": 4.5515360832214355,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | ScO3 | hard_negative | false | null | 0 | 0.692938 | -1.78752 | true | [
"oxide",
"metallic"
] | null |
mp-1186988 | [
"Sc",
"Ni"
] | [
21,
21,
28,
28,
28,
28,
28,
28
] | 8 | 2 | [
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.30972644686698914,
0.15486322343349457,
0.75
],
[
0.8451367616653442,
0.15486322343349457,
0.75
],
[
0.8451367616653442,
0.6902735233306885,... | {
"a": 5.272196292877197,
"b": 5.272196292877197,
"c": 4.176177024841309,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | ScNi3 | hard_negative | false | null | 0 | 0.03302 | -0.389155 | true | [
"metallic"
] | null |
mp-1186995 | [
"Sc",
"Sb"
] | [
21,
21,
51,
51,
51,
51,
51,
51
] | 8 | 2 | [
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.35267698764801025,
0.17633849382400513,
0.75
],
[
0.8236615061759949,
0.17633849382400513,
0.75
],
[
0.8236615061759949,
0.6473230123519897,... | {
"a": 6.493413925170898,
"b": 6.493413925170898,
"c": 5.664549827575684,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | ScSb3 | hard_negative | false | null | 0 | 0.140408 | -0.411587 | true | [
"metallic"
] | null |
mp-1187005 | [
"Si",
"Ag"
] | [
14,
14,
47,
47,
47,
47,
47,
47
] | 8 | 2 | [
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.34160101413726807,
0.17080050706863403,
0.75
],
[
0.829199492931366,
0.17080050706863403,
0.75
],
[
0.829199492931366,
0.6583989858627319,
... | {
"a": 5.92340612411499,
"b": 5.92340612411499,
"c": 4.569079875946045,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | SiAg3 | hard_negative | false | null | 0 | 0.192992 | 0.192992 | true | [
"metallic"
] | null |
mp-1187009 | [
"Sc",
"Pb"
] | [
21,
21,
82,
82,
82,
82,
82,
82
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.16979600489139557,
0.33959200978279114,
0.25
],
[
0.6604080200195312,
0.8302040100097656,
0.25
],
[
0.16979600489139557,
0.8302040100097656,... | {
"a": 6.575451374053955,
"b": 6.575451374053955,
"c": 6.030235767364502,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | ScPb3 | hard_negative | false | null | 0 | 0.103004 | -0.15275 | true | [
"metallic"
] | null |
mp-1187016 | [
"Sc",
"Te"
] | [
21,
21,
52,
52,
52,
52,
52,
52
] | 8 | 2 | [
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.3683519959449768,
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0.75
],
[
0.8158239722251892,
0.1841759979724884,
0.75
],
[
0.8158239722251892,
0.6316480040550232,
... | {
"a": 7.143587589263916,
"b": 7.143587589263916,
"c": 5.100532054901123,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | ScTe3 | hard_negative | false | null | 0 | 0.325289 | -0.600018 | true | [
"metallic"
] | null |
mp-1187017 | [
"Si",
"Pb"
] | [
14,
14,
82,
82,
82,
82,
82,
82
] | 8 | 2 | [
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.3455739915370941,
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0.75
],
[
0.8272129893302917,
0.17278699576854706,
0.75
],
[
0.8272129893302917,
0.6544259786605835,
... | {
"a": 6.882712364196777,
"b": 6.882712364196777,
"c": 5.492973804473877,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | SiPb3 | hard_negative | false | null | 0 | 0.345632 | 0.345632 | true | [
"metallic"
] | null |
mp-1187022 | [
"Sm",
"Ho"
] | [
62,
62,
67,
67,
67,
67,
67,
67
] | 8 | 2 | [
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
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],
[
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],
[
0.8347970247268677,
0.16520299017429352,
0.75
],
[
0.8347970247268677,
0.6695940494537354,... | {
"a": 7.223428249359131,
"b": 7.223428249359131,
"c": 5.775785446166992,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | SmHo3 | hard_negative | false | null | 0 | 0 | -0.004344 | true | [
"metallic"
] | null |
mp-1187028 | [
"Sm",
"Lu"
] | [
62,
62,
62,
62,
62,
62,
71,
71
] | 8 | 2 | [
[
0.33660510182380676,
0.16830255091190338,
0.75
],
[
0.8316974639892578,
0.16830255091190338,
0.75
],
[
0.8316974639892578,
0.6633948683738708,
0.75
],
[
0.6633948683738708,
0.8316974639892578,
0.25
],
[
0.16830255091190338,
0.8316974639892578... | {
"a": 7.330240726470947,
"b": 7.330240726470947,
"c": 5.705356597900391,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Sm3Lu | hard_negative | false | null | 0 | 0.014631 | 0.014631 | true | [
"metallic"
] | null |
mp-1187044 | [
"P",
"Sn"
] | [
50,
50,
50,
50,
50,
50,
15,
15
] | 8 | 2 | [
[
0.1697790026664734,
0.3395580053329468,
0.25
],
[
0.1697790026664734,
0.8302209973335266,
0.25
],
[
0.6604419946670532,
0.8302209973335266,
0.25
],
[
0.8302209973335266,
0.6604419946670532,
0.75
],
[
0.8302209973335266,
0.1697790026664734,
... | {
"a": 6.416923999786377,
"b": 6.416923999786377,
"c": 5.552769184112549,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Sn3P | hard_negative | false | null | 0 | 0.290971 | 0.288689 | true | [
"metallic"
] | null |
mp-1187047 | [
"Sn",
"Hg"
] | [
50,
50,
50,
50,
50,
50,
80,
80
] | 8 | 2 | [
[
0.3260464370250702,
0.1630232185125351,
0.75
],
[
0.8369767665863037,
0.1630232185125351,
0.75
],
[
0.8369767665863037,
0.6739535927772522,
0.75
],
[
0.6739535927772522,
0.8369767665863037,
0.25
],
[
0.1630232185125351,
0.8369767665863037,
... | {
"a": 6.566160202026367,
"b": 6.566160202026367,
"c": 5.707367420196533,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Sn3Hg | hard_negative | false | null | 0 | 0.218815 | 0.218815 | true | [
"metallic"
] | null |
mp-1187048 | [
"Sn",
"Au"
] | [
50,
50,
50,
50,
50,
50,
79,
79
] | 8 | 2 | [
[
0.34237000346183777,
0.17118500173091888,
0.75
],
[
0.8288149833679199,
0.17118500173091888,
0.75
],
[
0.8288149833679199,
0.6576300263404846,
0.75
],
[
0.6576300263404846,
0.8288149833679199,
0.25
],
[
0.17118500173091888,
0.8288149833679199... | {
"a": 6.668539524078369,
"b": 6.668539524078369,
"c": 5.235832214355469,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Sn3Au | hard_negative | false | null | 0 | 0.148157 | 0.076386 | true | [
"metallic"
] | null |
mp-1187050 | [
"As",
"Sn"
] | [
50,
50,
50,
50,
50,
50,
33,
33
] | 8 | 2 | [
[
0.33672600984573364,
0.16836300492286682,
0.75
],
[
0.8316370248794556,
0.16836300492286682,
0.75
],
[
0.8316370248794556,
0.6632739901542664,
0.75
],
[
0.6632739901542664,
0.8316370248794556,
0.25
],
[
0.16836300492286682,
0.8316370248794556... | {
"a": 6.511192321777344,
"b": 6.511192321777344,
"c": 5.6200079917907715,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Sn3As | hard_negative | false | null | 0 | 0.188724 | 0.159289 | true | [
"metallic"
] | null |
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