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-1185043 | [
"Pd",
"In"
] | [
49,
49,
49,
49,
49,
49,
46,
46
] | 8 | 2 | [
[
0.17464099824428558,
0.34928199648857117,
0.25
],
[
0.17464099824428558,
0.8253589868545532,
0.25
],
[
0.6507179737091064,
0.8253589868545532,
0.25
],
[
0.8253589868545532,
0.6507179737091064,
0.75
],
[
0.8253589868545532,
0.17464099824428558... | {
"a": 6.543586254119873,
"b": 6.543586254119873,
"c": 4.860166072845459,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | In3Pd | hard_negative | false | null | 0 | 0.249316 | -0.121 | true | [
"metallic"
] | null |
mp-1185053 | [
"K",
"Pt"
] | [
19,
19,
78,
78,
78,
78,
78,
78
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.1387449949979782,
0.2774899899959564,
0.25
],
[
0.1387449949979782,
0.8612549901008606,
0.25
],
[
0.7225099802017212,
0.8612549901008606,
... | {
"a": 6.526701927185059,
"b": 6.526701927185059,
"c": 4.582790851593018,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | KPt3 | hard_negative | false | null | 0 | 0.43515 | 0.423558 | true | [
"metallic"
] | null |
mp-1185099 | [
"K",
"Hg"
] | [
19,
19,
80,
80,
80,
80,
80,
80
] | 8 | 2 | [
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.30688443779945374,
0.15344221889972687,
0.75
],
[
0.8465577960014343,
0.6931155920028687,
0.75
],
[
0.15344221889972687,
0.8465577960014343,... | {
"a": 7.11381721496582,
"b": 7.11381721496582,
"c": 5.456662654876709,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | KHg3 | hard_negative | false | null | 0 | 0.010136 | -0.242266 | true | [
"metallic"
] | null |
mp-1185106 | [
"K",
"Te"
] | [
19,
19,
52,
52,
52,
52,
52,
52
] | 8 | 2 | [
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.17604400217533112,
0.35208800435066223,
0.25
],
[
0.17604400217533112,
0.8239560127258301,
0.25
],
[
0.6479120254516602,
0.8239560127258301,... | {
"a": 6.782280445098877,
"b": 6.782280445098877,
"c": 6.448319911956787,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | KTe3 | hard_negative | false | null | 0 | 0.102012 | -0.437425 | true | [
"metallic"
] | null |
mp-1185113 | [
"Cd",
"La"
] | [
57,
57,
57,
57,
57,
57,
48,
48
] | 8 | 2 | [
[
0.3596384525299072,
0.1798192262649536,
0.75
],
[
0.8201807737350464,
0.1798192262649536,
0.75
],
[
0.8201807737350464,
0.6403615474700928,
0.75
],
[
0.6403615474700928,
0.8201807737350464,
0.25
],
[
0.1798192262649536,
0.8201807737350464,
... | {
"a": 7.275049209594727,
"b": 7.275049209594727,
"c": 5.635491847991943,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | La3Cd | hard_negative | false | null | 0 | 0.045808 | -0.107193 | true | [
"metallic"
] | null |
mp-1185121 | [
"Zn",
"La"
] | [
57,
57,
30,
30,
30,
30,
30,
30
] | 8 | 2 | [
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.731879711151123,
0.8659398555755615,
0.25
],
[
0.13406012952327728,
0.8659398555755615,
0.25
],
[
0.13406012952327728,
0.26812025904655457,
... | {
"a": 6.741744041442871,
"b": 6.741744041442871,
"c": 4.301297664642334,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | LaZn3 | hard_negative | false | null | 0 | 0.07232 | -0.307739 | true | [
"metallic"
] | null |
mp-1185125 | [
"K",
"Tb"
] | [
19,
19,
19,
19,
19,
19,
65,
65
] | 8 | 2 | [
[
0.3426710069179535,
0.17133550345897675,
0.75
],
[
0.8286644816398621,
0.17133550345897675,
0.75
],
[
0.8286644816398621,
0.6573290228843689,
0.75
],
[
0.6573290228843689,
0.8286644816398621,
0.25
],
[
0.17133550345897675,
0.8286644816398621,... | {
"a": 8.638418197631836,
"b": 8.638418197631836,
"c": 7.109837055206299,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | K3Tb | hard_negative | false | null | 0 | 0.579237 | 0.579237 | true | [
"metallic"
] | null |
mp-1185127 | [
"La",
"Hg"
] | [
57,
57,
57,
57,
57,
57,
80,
80
] | 8 | 2 | [
[
0.36154255270957947,
0.18077127635478973,
0.75
],
[
0.8192287087440491,
0.18077127635478973,
0.75
],
[
0.8192287087440491,
0.6384574770927429,
0.75
],
[
0.6384574770927429,
0.8192287087440491,
0.25
],
[
0.18077127635478973,
0.8192287087440491... | {
"a": 7.2423272132873535,
"b": 7.2423272132873535,
"c": 5.545884609222412,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | La3Hg | hard_negative | false | null | 0 | 0.035491 | -0.254142 | true | [
"metallic"
] | null |
mp-1185128 | [
"La",
"Hf"
] | [
57,
57,
57,
57,
57,
57,
72,
72
] | 8 | 2 | [
[
0.34780800342559814,
0.17390400171279907,
0.75
],
[
0.8260959982872009,
0.17390400171279907,
0.75
],
[
0.8260959982872009,
0.6521919965744019,
0.75
],
[
0.6521919965744019,
0.8260959982872009,
0.25
],
[
0.17390400171279907,
0.8260959982872009... | {
"a": 7.182932376861572,
"b": 7.182932376861572,
"c": 5.847720146179199,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | La3Hf | hard_negative | false | null | 0 | 0.200598 | 0.200598 | true | [
"metallic"
] | null |
mp-1185135 | [
"K",
"Br"
] | [
19,
19,
35,
35,
35,
35,
35,
35
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.16755416989326477,
0.33510833978652954,
0.25
],
[
0.16755416989326477,
0.8324458003044128,
0.25
],
[
0.6648916602134705,
0.8324458003044128,... | {
"a": 6.412358283996582,
"b": 6.412358283996582,
"c": 7.087037563323975,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | KBr3 | hard_negative | false | null | 0 | 0 | -1.026503 | true | [
"halide",
"metallic"
] | null |
mp-1185137 | [
"Zr",
"La"
] | [
57,
57,
57,
57,
57,
57,
40,
40
] | 8 | 2 | [
[
0.34499600529670715,
0.17249800264835358,
0.75
],
[
0.8275020122528076,
0.17249800264835358,
0.75
],
[
0.8275020122528076,
0.6550040245056152,
0.75
],
[
0.6550040245056152,
0.8275020122528076,
0.25
],
[
0.17249800264835358,
0.8275020122528076... | {
"a": 7.203755855560303,
"b": 7.203755855560303,
"c": 5.876989841461182,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | La3Zr | hard_negative | false | null | 0 | 0.157273 | 0.157273 | true | [
"metallic"
] | null |
mp-1185140 | [
"K",
"Tm"
] | [
19,
19,
19,
19,
19,
19,
69,
69
] | 8 | 2 | [
[
0.3431670069694519,
0.17158350348472595,
0.75
],
[
0.8284165263175964,
0.17158350348472595,
0.75
],
[
0.8284165263175964,
0.6568329930305481,
0.75
],
[
0.6568329930305481,
0.8284165263175964,
0.25
],
[
0.17158350348472595,
0.8284165263175964,... | {
"a": 8.585525512695312,
"b": 8.585525512695312,
"c": 7.079137802124023,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | K3Tm | hard_negative | false | null | 0 | 0.580111 | 0.580111 | true | [
"metallic"
] | null |
mp-1185144 | [
"K",
"Th"
] | [
19,
19,
90,
90,
90,
90,
90,
90
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.15582400560379028,
0.31164801120758057,
0.25
],
[
0.15582400560379028,
0.8441759943962097,
0.25
],
[
0.6883519887924194,
0.8441759943962097,... | {
"a": 7.413417816162109,
"b": 7.413417816162109,
"c": 6.011810779571533,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | KTh3 | hard_negative | false | null | 0 | 0.680531 | 0.680531 | true | [
"metallic"
] | null |
mp-1185145 | [
"As",
"La"
] | [
57,
57,
33,
33,
33,
33,
33,
33
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.19838200509548187,
0.39676401019096375,
0.25
],
[
0.19838200509548187,
0.8016179800033569,
0.25
],
[
0.6032360196113586,
0.8016179800033569,... | {
"a": 6.313884258270264,
"b": 6.313884258270264,
"c": 5.819825172424316,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | LaAs3 | hard_negative | false | null | 0 | 0.173692 | -0.758741 | true | [
"metallic"
] | null |
mp-1185146 | [
"K",
"Pm"
] | [
19,
19,
19,
19,
19,
19,
61,
61
] | 8 | 2 | [
[
0.3413830101490021,
0.17069150507450104,
0.75
],
[
0.8293085098266602,
0.17069150507450104,
0.75
],
[
0.8293085098266602,
0.6586170196533203,
0.75
],
[
0.6586170196533203,
0.8293085098266602,
0.25
],
[
0.17069150507450104,
0.8293085098266602,... | {
"a": 8.659170150756836,
"b": 8.659170150756836,
"c": 7.1118340492248535,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | K3Pm | hard_negative | false | null | 0 | 0.553352 | 0.553352 | true | [
"metallic"
] | null |
mp-1185151 | [
"K",
"Sn"
] | [
19,
19,
50,
50,
50,
50,
50,
50
] | 8 | 2 | [
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.269246906042099,
0.1346234530210495,
0.75
],
[
0.8653765320777893,
0.1346234530210495,
0.75
],
[
0.8653765320777893,
0.7307530641555786,
... | {
"a": 7.5379180908203125,
"b": 7.5379180908203125,
"c": 5.445590496063232,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | KSn3 | hard_negative | false | null | 0 | 0.057299 | -0.123304 | true | [
"metallic"
] | null |
mp-1185155 | [
"K",
"Ba"
] | [
19,
19,
56,
56,
56,
56,
56,
56
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.6746209859848022,
0.8373104929924011,
0.25
],
[
0.8373104929924011,
0.6746209859848022,
0.75
],
[
0.8373104929924011,
0.16268950700759888,
... | {
"a": 9.080145835876465,
"b": 9.080145835876465,
"c": 7.452211856842041,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | KBa3 | hard_negative | false | null | 0 | 0.096799 | 0.096799 | true | [
"metallic"
] | null |
mp-1185158 | [
"K",
"Pr"
] | [
19,
19,
59,
59,
59,
59,
59,
59
] | 8 | 2 | [
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.3092379868030548,
0.1546189934015274,
0.75
],
[
0.8453810214996338,
0.1546189934015274,
0.75
],
[
0.8453810214996338,
0.6907619833946228,
... | {
"a": 7.9665422439575195,
"b": 7.9665422439575195,
"c": 5.985595226287842,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | KPr3 | hard_negative | false | null | 0 | 0.423983 | 0.423983 | true | [
"metallic"
] | null |
mp-1185161 | [
"Ti",
"La"
] | [
57,
57,
57,
57,
57,
57,
22,
22
] | 8 | 2 | [
[
0.3524389863014221,
0.17621949315071106,
0.75
],
[
0.8237804770469666,
0.17621949315071106,
0.75
],
[
0.8237804770469666,
0.6475610136985779,
0.75
],
[
0.6475610136985779,
0.8237804770469666,
0.25
],
[
0.17621949315071106,
0.8237804770469666,... | {
"a": 7.16834020614624,
"b": 7.16834020614624,
"c": 5.677731037139893,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | La3Ti | hard_negative | false | null | 0 | 0.246603 | 0.246603 | true | [
"metallic"
] | null |
mp-1185163 | [
"La",
"Ta"
] | [
57,
57,
73,
73,
73,
73,
73,
73
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.1403609961271286,
0.2807219922542572,
0.25
],
[
0.1403609961271286,
0.8596389889717102,
0.25
],
[
0.7192779779434204,
0.8596389889717102,
... | {
"a": 6.513172149658203,
"b": 6.513172149658203,
"c": 5.086376190185547,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | LaTa3 | hard_negative | false | null | 0 | 0.533002 | 0.533002 | true | [
"metallic"
] | null |
mp-1185166 | [
"La",
"Sm"
] | [
57,
57,
62,
62,
62,
62,
62,
62
] | 8 | 2 | [
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.16571174561977386,
0.33142349123954773,
0.25
],
[
0.16571174561977386,
0.8342882394790649,
0.25
],
[
0.6685764789581299,
0.8342882394790649,... | {
"a": 7.485068321228027,
"b": 7.485068321228027,
"c": 5.839878082275391,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | LaSm3 | hard_negative | false | null | 0 | 0.029037 | 0.029037 | true | [
"metallic"
] | null |
mp-1185168 | [
"K",
"Rb"
] | [
19,
19,
37,
37,
37,
37,
37,
37
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.16899776458740234,
0.3379955291748047,
0.25
],
[
0.16899776458740234,
0.8310022354125977,
0.25
],
[
0.6620044708251953,
0.8310022354125977,
... | {
"a": 10.105560302734375,
"b": 10.105560302734375,
"c": 8.341923713684082,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | KRb3 | hard_negative | false | null | 0 | 0.02858 | 0.02858 | true | [
"metallic"
] | null |
mp-1185171 | [
"La",
"U"
] | [
57,
57,
92,
92,
92,
92,
92,
92
] | 8 | 2 | [
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.3028300106525421,
0.15141500532627106,
0.75
],
[
0.8485850095748901,
0.15141500532627106,
0.75
],
[
0.8485850095748901,
0.6971700191497803,
... | {
"a": 6.3045973777771,
"b": 6.3045973777771,
"c": 5.514587879180908,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | LaU3 | hard_negative | false | null | 0 | 0.559804 | 0.559804 | true | [
"metallic"
] | null |
mp-1185189 | [
"K",
"Ti"
] | [
19,
19,
19,
19,
19,
19,
22,
22
] | 8 | 2 | [
[
0.35120800137519836,
0.17560400068759918,
0.75
],
[
0.824396014213562,
0.17560400068759918,
0.75
],
[
0.824396014213562,
0.648792028427124,
0.75
],
[
0.648792028427124,
0.824396014213562,
0.25
],
[
0.17560400068759918,
0.824396014213562,
... | {
"a": 8.381439208984375,
"b": 8.381439208984375,
"c": 6.795176982879639,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | K3Ti | hard_negative | false | null | 0 | 0.857096 | 0.857096 | true | [
"metallic"
] | null |
mp-1185197 | [
"Li",
"Ho"
] | [
3,
3,
3,
3,
3,
3,
67,
67
] | 8 | 2 | [
[
0.3010669946670532,
0.1505334973335266,
0.75
],
[
0.8494665026664734,
0.1505334973335266,
0.75
],
[
0.8494665026664734,
0.6989330053329468,
0.75
],
[
0.6989330053329468,
0.8494665026664734,
0.25
],
[
0.1505334973335266,
0.8494665026664734,
... | {
"a": 6.517702102661133,
"b": 6.517702102661133,
"c": 5.018784046173096,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Li3Ho | hard_negative | true | 6 | 0 | 0.212806 | 0.212806 | true | [
"li",
"metallic"
] | null |
mp-1185205 | [
"Li",
"Hg"
] | [
3,
3,
3,
3,
3,
3,
80,
80
] | 8 | 2 | [
[
0.3474600315093994,
0.1737300157546997,
0.75
],
[
0.8262699842453003,
0.1737300157546997,
0.75
],
[
0.8262699842453003,
0.6525399684906006,
0.75
],
[
0.6525399684906006,
0.8262699842453003,
0.25
],
[
0.1737300157546997,
0.8262699842453003,
... | {
"a": 5.859970569610596,
"b": 5.859970569610596,
"c": 4.6960296630859375,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Li3Hg | hard_negative | true | 6 | 0 | 0.015533 | -0.27972 | true | [
"li",
"metallic"
] | null |
mp-1185206 | [
"Li",
"Pm"
] | [
3,
3,
3,
3,
3,
3,
61,
61
] | 8 | 2 | [
[
0.14809900522232056,
0.2961980104446411,
0.25
],
[
0.14809900522232056,
0.8519009947776794,
0.25
],
[
0.7038019895553589,
0.8519009947776794,
0.25
],
[
0.8519009947776794,
0.7038019895553589,
0.75
],
[
0.8519009947776794,
0.14809900522232056,... | {
"a": 6.703999996185303,
"b": 6.703999996185303,
"c": 5.079710960388184,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Li3Pm | hard_negative | true | 6 | 0 | 0.199966 | 0.199966 | true | [
"li",
"metallic"
] | null |
mp-1185208 | [
"Li",
"Lu"
] | [
3,
3,
3,
3,
3,
3,
71,
71
] | 8 | 2 | [
[
0.15299899876117706,
0.3059979975223541,
0.25
],
[
0.15299899876117706,
0.8470010161399841,
0.25
],
[
0.6940019726753235,
0.8470010161399841,
0.25
],
[
0.8470010161399841,
0.6940019726753235,
0.75
],
[
0.8470010161399841,
0.15299899876117706,... | {
"a": 6.416179656982422,
"b": 6.416179656982422,
"c": 5.003580093383789,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Li3Lu | hard_negative | true | 6 | 0 | 0.212198 | 0.212198 | true | [
"li",
"metallic"
] | null |
mp-1185214 | [
"Li",
"Ni"
] | [
3,
3,
3,
3,
3,
3,
28,
28
] | 8 | 2 | [
[
0.3491869866847992,
0.1745934933423996,
0.75
],
[
0.8254064917564392,
0.1745934933423996,
0.75
],
[
0.8254064917564392,
0.6508129835128784,
0.75
],
[
0.6508129835128784,
0.8254064917564392,
0.25
],
[
0.1745934933423996,
0.8254064917564392,
... | {
"a": 5.436624050140381,
"b": 5.436624050140381,
"c": 4.465321063995361,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Li3Ni | hard_negative | true | 6 | 0 | 0.093812 | 0.093812 | true | [
"li",
"metallic"
] | null |
mp-1185215 | [
"Li",
"Fe"
] | [
3,
3,
3,
3,
3,
3,
26,
26
] | 8 | 2 | [
[
0.34581801295280457,
0.17290900647640228,
0.75
],
[
0.8270909786224365,
0.17290900647640228,
0.75
],
[
0.8270909786224365,
0.6541820168495178,
0.75
],
[
0.6541820168495178,
0.8270909786224365,
0.25
],
[
0.17290900647640228,
0.8270909786224365... | {
"a": 5.574374198913574,
"b": 5.574374198913574,
"c": 4.559902191162109,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Li3Fe | hard_negative | true | 6 | 0 | 0.405663 | 0.405663 | true | [
"li",
"metallic"
] | null |
mp-1185216 | [
"Li",
"Nb"
] | [
3,
3,
3,
3,
3,
3,
41,
41
] | 8 | 2 | [
[
0.33175599575042725,
0.16587799787521362,
0.75
],
[
0.8341220021247864,
0.16587799787521362,
0.75
],
[
0.8341220021247864,
0.6682440042495728,
0.75
],
[
0.6682440042495728,
0.8341220021247864,
0.25
],
[
0.16587799787521362,
0.8341220021247864... | {
"a": 5.7453460693359375,
"b": 5.7453460693359375,
"c": 4.518857002258301,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Li3Nb | hard_negative | true | 6 | 0 | 0.682142 | 0.682142 | true | [
"li",
"metallic"
] | null |
mp-1185226 | [
"La",
"Yb"
] | [
57,
57,
57,
57,
57,
57,
70,
70
] | 8 | 2 | [
[
0.3419807553291321,
0.17099037766456604,
0.75
],
[
0.8290095925331116,
0.17099037766456604,
0.75
],
[
0.8290095925331116,
0.6580192446708679,
0.75
],
[
0.6580192446708679,
0.8290095925331116,
0.25
],
[
0.17099037766456604,
0.8290095925331116,... | {
"a": 7.5344929695129395,
"b": 7.5344929695129395,
"c": 5.896681308746338,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | La3Yb | hard_negative | false | null | 0 | 0.025353 | 0.025353 | true | [
"metallic"
] | null |
mp-1185227 | [
"Li",
"Eu"
] | [
3,
3,
3,
3,
3,
3,
63,
63
] | 8 | 2 | [
[
0.29041600227355957,
0.14520800113677979,
0.75
],
[
0.8547919988632202,
0.14520800113677979,
0.75
],
[
0.8547919988632202,
0.7095839977264404,
0.75
],
[
0.7095839977264404,
0.8547919988632202,
0.25
],
[
0.14520800113677979,
0.8547919988632202... | {
"a": 6.924445629119873,
"b": 6.924445629119873,
"c": 5.391328811645508,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Li3Eu | hard_negative | true | 6 | 0 | 0.089816 | 0.089816 | true | [
"li",
"metallic"
] | null |
mp-1185228 | [
"Ho",
"Pu"
] | [
67,
67,
94,
94,
94,
94,
94,
94
] | 8 | 2 | [
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.3275519907474518,
0.1637759953737259,
0.75
],
[
0.8362240195274353,
0.1637759953737259,
0.75
],
[
0.8362240195274353,
0.6724479794502258,
... | {
"a": 6.90632438659668,
"b": 6.90632438659668,
"c": 5.567708969116211,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | HoPu3 | hard_negative | false | null | 0 | 0.191468 | 0.191468 | true | [
"metallic"
] | null |
mp-1185255 | [
"Li",
"Rh"
] | [
3,
3,
3,
3,
3,
3,
45,
45
] | 8 | 2 | [
[
0.35097211599349976,
0.17548605799674988,
0.75
],
[
0.8245139122009277,
0.17548605799674988,
0.75
],
[
0.8245139122009277,
0.6490278840065002,
0.75
],
[
0.6490278840065002,
0.8245139122009277,
0.25
],
[
0.17548605799674988,
0.8245139122009277... | {
"a": 5.2944512367248535,
"b": 5.2944512367248535,
"c": 4.436933517456055,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Li3Rh | hard_negative | true | 6 | 0 | 0.069664 | -0.023339 | true | [
"li",
"metallic"
] | null |
mp-1185256 | [
"Li",
"Np"
] | [
3,
3,
3,
3,
3,
3,
93,
93
] | 8 | 2 | [
[
0.29526299238204956,
0.14763149619102478,
0.75
],
[
0.8523684740066528,
0.14763149619102478,
0.75
],
[
0.8523684740066528,
0.7047370076179504,
0.75
],
[
0.7047370076179504,
0.8523684740066528,
0.25
],
[
0.14763149619102478,
0.8523684740066528... | {
"a": 6.49332857131958,
"b": 6.49332857131958,
"c": 4.965217113494873,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Li3Np | hard_negative | true | 6 | 0 | 0.672854 | 0.672854 | true | [
"li",
"metallic"
] | null |
mp-1185259 | [
"K",
"Eu"
] | [
19,
19,
19,
19,
19,
19,
63,
63
] | 8 | 2 | [
[
0.336777001619339,
0.1683885008096695,
0.75
],
[
0.8316115140914917,
0.1683885008096695,
0.75
],
[
0.8316115140914917,
0.6632230281829834,
0.75
],
[
0.6632230281829834,
0.8316115140914917,
0.25
],
[
0.1683885008096695,
0.8316115140914917,
... | {
"a": 9.169562339782715,
"b": 9.169562339782715,
"c": 7.446486949920654,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | K3Eu | hard_negative | false | null | 0 | 0.185874 | 0.185874 | true | [
"metallic"
] | null |
mp-1185268 | [
"Li",
"Sc"
] | [
3,
3,
3,
3,
3,
3,
21,
21
] | 8 | 2 | [
[
0.3217400014400482,
0.1608700007200241,
0.75
],
[
0.8391299843788147,
0.1608700007200241,
0.75
],
[
0.8391299843788147,
0.6782600283622742,
0.75
],
[
0.6782600283622742,
0.8391299843788147,
0.25
],
[
0.1608700007200241,
0.8391299843788147,
... | {
"a": 6.2314558029174805,
"b": 6.2314558029174805,
"c": 4.932665824890137,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Li3Sc | hard_negative | true | 6 | 0 | 0.222105 | 0.222105 | true | [
"li",
"metallic"
] | null |
mp-1185269 | [
"Li",
"Gd"
] | [
3,
3,
3,
3,
3,
3,
64,
64
] | 8 | 2 | [
[
0.2992520034313202,
0.1496260017156601,
0.75
],
[
0.8503739833831787,
0.1496260017156601,
0.75
],
[
0.8503739833831787,
0.7007480263710022,
0.75
],
[
0.7007480263710022,
0.8503739833831787,
0.25
],
[
0.1496260017156601,
0.8503739833831787,
... | {
"a": 6.419090270996094,
"b": 6.419090270996094,
"c": 5.040031909942627,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Li3Gd | hard_negative | true | 6 | 0 | 0.162573 | 0.162573 | true | [
"li",
"metallic"
] | null |
mp-1185272 | [
"Li",
"Sm"
] | [
3,
3,
3,
3,
3,
3,
62,
62
] | 8 | 2 | [
[
0.8515394926071167,
0.1484605073928833,
0.75
],
[
0.2969210147857666,
0.1484605073928833,
0.75
],
[
0.1484605073928833,
0.2969210147857666,
0.25
],
[
0.8515394926071167,
0.7030789852142334,
0.75
],
[
0.7030789852142334,
0.8515394926071167,
... | {
"a": 6.674770355224609,
"b": 6.674770355224609,
"c": 5.07806396484375,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Li3Sm | hard_negative | true | 6 | 0 | 0.202591 | 0.202591 | true | [
"li",
"metallic"
] | null |
mp-1185280 | [
"Li",
"Te"
] | [
3,
3,
3,
3,
3,
3,
52,
52
] | 8 | 2 | [
[
0.3335779905319214,
0.1667889952659607,
0.75
],
[
0.8332110047340393,
0.1667889952659607,
0.75
],
[
0.8332110047340393,
0.6664220094680786,
0.75
],
[
0.6664220094680786,
0.8332110047340393,
0.25
],
[
0.1667889952659607,
0.8332110047340393,
... | {
"a": 6.2300639152526855,
"b": 6.2300639152526855,
"c": 4.5626749992370605,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Li3Te | hard_negative | true | 6 | 0 | 0.068747 | -0.814818 | true | [
"li",
"metallic"
] | null |
mp-1185282 | [
"Li",
"Tb"
] | [
3,
3,
3,
3,
3,
3,
65,
65
] | 8 | 2 | [
[
0.2993369996547699,
0.14966849982738495,
0.75
],
[
0.8503314852714539,
0.14966849982738495,
0.75
],
[
0.8503314852714539,
0.7006629705429077,
0.75
],
[
0.7006629705429077,
0.8503314852714539,
0.25
],
[
0.14966849982738495,
0.8503314852714539,... | {
"a": 6.5794477462768555,
"b": 6.5794477462768555,
"c": 5.043737888336182,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Li3Tb | hard_negative | true | 6 | 0 | 0.210791 | 0.210791 | true | [
"li",
"metallic"
] | null |
mp-1185283 | [
"Li",
"Tm"
] | [
3,
3,
3,
3,
3,
3,
69,
69
] | 8 | 2 | [
[
0.30798399448394775,
0.15399199724197388,
0.75
],
[
0.8460080027580261,
0.15399199724197388,
0.75
],
[
0.8460080027580261,
0.6920160055160522,
0.75
],
[
0.6920160055160522,
0.8460080027580261,
0.25
],
[
0.15399199724197388,
0.8460080027580261... | {
"a": 6.474554538726807,
"b": 6.474554538726807,
"c": 5.015370845794678,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Li3Tm | hard_negative | true | 6 | 0 | 0.213458 | 0.213458 | true | [
"li",
"metallic"
] | null |
mp-1185288 | [
"Li",
"W"
] | [
3,
3,
3,
3,
3,
3,
74,
74
] | 8 | 2 | [
[
0.3300659954547882,
0.1650329977273941,
0.75
],
[
0.8349670171737671,
0.1650329977273941,
0.75
],
[
0.8349670171737671,
0.6699339747428894,
0.75
],
[
0.6699339747428894,
0.8349670171737671,
0.25
],
[
0.1650329977273941,
0.8349670171737671,
... | {
"a": 5.537290096282959,
"b": 5.537290096282959,
"c": 4.33951997756958,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Li3W | hard_negative | true | 6 | 0 | 0.983269 | 0.983269 | true | [
"li",
"metallic"
] | null |
mp-1185289 | [
"Li",
"Y"
] | [
3,
3,
3,
3,
3,
3,
39,
39
] | 8 | 2 | [
[
0.2995379865169525,
0.14976899325847626,
0.75
],
[
0.8502309918403625,
0.14976899325847626,
0.75
],
[
0.8502309918403625,
0.7004619836807251,
0.75
],
[
0.7004619836807251,
0.8502309918403625,
0.25
],
[
0.14976899325847626,
0.8502309918403625,... | {
"a": 6.568093776702881,
"b": 6.568093776702881,
"c": 4.992785930633545,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Li3Y | hard_negative | true | 6 | 0 | 0.183025 | 0.183025 | true | [
"li",
"metallic"
] | null |
mp-1185291 | [
"Li",
"Zn"
] | [
3,
3,
3,
3,
3,
3,
30,
30
] | 8 | 2 | [
[
0.344293475151062,
0.172146737575531,
0.75
],
[
0.827853262424469,
0.172146737575531,
0.75
],
[
0.827853262424469,
0.655706524848938,
0.75
],
[
0.655706524848938,
0.827853262424469,
0.25
],
[
0.172146737575531,
0.827853262424469,
0.25
]... | {
"a": 5.6964521408081055,
"b": 5.6964521408081055,
"c": 4.6122212409973145,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Li3Zn | hard_negative | true | 6 | 0 | 0.032176 | -0.077877 | true | [
"li",
"metallic"
] | null |
mp-1185296 | [
"Li",
"Yb"
] | [
3,
3,
3,
3,
3,
3,
70,
70
] | 8 | 2 | [
[
0.3138163089752197,
0.15690815448760986,
0.75
],
[
0.8430918455123901,
0.15690815448760986,
0.75
],
[
0.8430918455123901,
0.6861836910247803,
0.75
],
[
0.6861836910247803,
0.8430918455123901,
0.25
],
[
0.15690815448760986,
0.8430918455123901,... | {
"a": 6.443191051483154,
"b": 6.443191051483154,
"c": 5.026038646697998,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Li3Yb | hard_negative | true | 6 | 0 | 0.218169 | 0.218169 | true | [
"li",
"metallic"
] | null |
mp-1185333 | [
"Li",
"Au"
] | [
3,
3,
79,
79,
79,
79,
79,
79
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.16853828728199005,
0.3370765745639801,
0.25
],
[
0.8314617276191711,
0.16853828728199005,
0.75
],
[
0.3370765745639801,
0.16853828728199005,... | {
"a": 5.605831146240234,
"b": 5.605831146240234,
"c": 4.812323570251465,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | LiAu3 | hard_negative | true | 2 | 0 | 0.005273 | -0.376454 | true | [
"li",
"metallic"
] | null |
mp-1185338 | [
"Li",
"Cu"
] | [
3,
3,
29,
29,
29,
29,
29,
29
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.16593268513679504,
0.3318653702735901,
0.25
],
[
0.16593268513679504,
0.8340672850608826,
0.25
],
[
0.6681346297264099,
0.8340672850608826,
... | {
"a": 5.068183898925781,
"b": 5.068183898925781,
"c": 4.161562919616699,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | LiCu3 | hard_negative | true | 2 | 0 | 0.008405 | -0.002869 | true | [
"li",
"metallic"
] | null |
mp-1185340 | [
"Li",
"Dy"
] | [
3,
3,
66,
66,
66,
66,
66,
66
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.16898700594902039,
0.33797401189804077,
0.25
],
[
0.16898700594902039,
0.831013023853302,
0.25
],
[
0.6620259881019592,
0.831013023853302,
... | {
"a": 7.000370502471924,
"b": 7.000370502471924,
"c": 5.515361785888672,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | LiDy3 | hard_negative | true | 2 | 0 | 0.189762 | 0.189762 | true | [
"li",
"metallic"
] | null |
mp-1185342 | [
"Li",
"Ag"
] | [
3,
3,
47,
47,
47,
47,
47,
47
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.16807329654693604,
0.33614659309387207,
0.25
],
[
0.16807329654693604,
0.831926703453064,
0.25
],
[
0.6638534069061279,
0.831926703453064,
... | {
"a": 5.740885257720947,
"b": 5.740885257720947,
"c": 4.658371925354004,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | LiAg3 | hard_negative | true | 2 | 0 | 0.008259 | -0.120539 | true | [
"li",
"metallic"
] | null |
mp-1185345 | [
"Li",
"Er"
] | [
3,
3,
68,
68,
68,
68,
68,
68
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.16857600212097168,
0.33715200424194336,
0.25
],
[
0.16857600212097168,
0.8314239978790283,
0.25
],
[
0.6628479957580566,
0.8314239978790283,... | {
"a": 6.914937496185303,
"b": 6.914937496185303,
"c": 5.496054172515869,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | LiEr3 | hard_negative | true | 2 | 0 | 0.184691 | 0.184691 | true | [
"li",
"metallic"
] | null |
mp-1185348 | [
"Li",
"F"
] | [
3,
3,
9,
9,
9,
9,
9,
9
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.16876600682735443,
0.33753201365470886,
0.25
],
[
0.16876600682735443,
0.8312339782714844,
0.25
],
[
0.6624680161476135,
0.8312339782714844,... | {
"a": 4.418307781219482,
"b": 4.418307781219482,
"c": 4.653020858764648,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | LiF3 | hard_negative | true | 2 | 0 | 0.14988 | -1.444592 | true | [
"li",
"halide",
"metallic"
] | null |
mp-1185350 | [
"Li",
"Ca"
] | [
3,
3,
20,
20,
20,
20,
20,
20
] | 8 | 2 | [
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.3381386697292328,
0.1690693348646164,
0.75
],
[
0.8309306502342224,
0.1690693348646164,
0.75
],
[
0.8309306502342224,
0.6618613004684448,
... | {
"a": 7.584938049316406,
"b": 7.584938049316406,
"c": 6.212854862213135,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | LiCa3 | hard_negative | true | 2 | 0 | 0.075116 | 0.067863 | true | [
"li",
"metallic"
] | null |
mp-1185352 | [
"Li",
"Ga"
] | [
3,
3,
31,
31,
31,
31,
31,
31
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.1668306440114975,
0.333661288022995,
0.25
],
[
0.1668306440114975,
0.8331693410873413,
0.25
],
[
0.6663387417793274,
0.8331693410873413,
... | {
"a": 5.617355823516846,
"b": 5.617355823516846,
"c": 4.7524733543396,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | LiGa3 | hard_negative | true | 2 | 0 | 0.105479 | -0.148747 | true | [
"li",
"metallic"
] | null |
mp-1185353 | [
"K",
"Ce"
] | [
19,
19,
19,
19,
19,
19,
58,
58
] | 8 | 2 | [
[
0.3397729992866516,
0.1698864996433258,
0.75
],
[
0.8301134705543518,
0.1698864996433258,
0.75
],
[
0.8301134705543518,
0.6602270007133484,
0.75
],
[
0.6602270007133484,
0.8301134705543518,
0.25
],
[
0.1698864996433258,
0.8301134705543518,
... | {
"a": 10.517736434936523,
"b": 10.517736434936523,
"c": 8.174406051635742,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | K3Ce | hard_negative | false | null | 0 | 0.810932 | 0.810932 | true | [
"metallic"
] | null |
mp-1185355 | [
"Li",
"Eu"
] | [
3,
3,
63,
63,
63,
63,
63,
63
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.16919900476932526,
0.3383980095386505,
0.25
],
[
0.16919900476932526,
0.8308010101318359,
0.25
],
[
0.6616020202636719,
0.8308010101318359,
... | {
"a": 7.597235679626465,
"b": 7.597235679626465,
"c": 6.22309684753418,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | LiEu3 | hard_negative | true | 2 | 0 | 0.082084 | 0.082084 | true | [
"li",
"metallic"
] | null |
mp-1185384 | [
"Li",
"Ho"
] | [
3,
3,
67,
67,
67,
67,
67,
67
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.16856800019741058,
0.33713600039482117,
0.25
],
[
0.16856800019741058,
0.8314319849014282,
0.25
],
[
0.6628640294075012,
0.8314319849014282,... | {
"a": 6.974928379058838,
"b": 6.974928379058838,
"c": 5.506237983703613,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | LiHo3 | hard_negative | true | 2 | 0 | 0.186835 | 0.186835 | true | [
"li",
"metallic"
] | null |
mp-1185460 | [
"La",
"Gd"
] | [
57,
57,
64,
64,
64,
64,
64,
64
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.1626366376876831,
0.3252732753753662,
0.25
],
[
0.1626366376876831,
0.8373633623123169,
0.25
],
[
0.6747267246246338,
0.8373633623123169,
... | {
"a": 7.413617134094238,
"b": 7.413617134094238,
"c": 5.951630592346191,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | LaGd3 | hard_negative | false | null | 0 | 0.013755 | 0.013755 | true | [
"metallic"
] | null |
mp-1185470 | [
"Li",
"Yb"
] | [
3,
3,
70,
70,
70,
70,
70,
70
] | 8 | 2 | [
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.16796357929706573,
0.33592715859413147,
0.25
],
[
0.16796357929706573,
0.8320364356040955,
0.25
],
[
0.6640728712081909,
0.8320364356040955,... | {
"a": 6.772877216339111,
"b": 6.772877216339111,
"c": 5.620068073272705,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | LiYb3 | hard_negative | true | 2 | 0 | 0.168935 | 0.168935 | true | [
"li",
"metallic"
] | null |
mp-1185473 | [
"Sn",
"Lu"
] | [
71,
71,
71,
71,
71,
71,
50,
50
] | 8 | 2 | [
[
0.33842000365257263,
0.16921000182628632,
0.75
],
[
0.8307899832725525,
0.16921000182628632,
0.75
],
[
0.8307899832725525,
0.6615800261497498,
0.75
],
[
0.6615800261497498,
0.8307899832725525,
0.25
],
[
0.16921000182628632,
0.8307899832725525... | {
"a": 6.709205627441406,
"b": 6.709205627441406,
"c": 5.458578109741211,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Lu3Sn | hard_negative | false | null | 0 | 0.084938 | -0.432129 | true | [
"metallic"
] | null |
mp-1185475 | [
"Mg",
"Lu"
] | [
71,
71,
71,
71,
71,
71,
12,
12
] | 8 | 2 | [
[
0.3370591402053833,
0.16852957010269165,
0.75
],
[
0.8314704298973083,
0.6629408597946167,
0.75
],
[
0.8314704298973083,
0.16852957010269165,
0.75
],
[
0.16852957010269165,
0.8314704298973083,
0.25
],
[
0.16852957010269165,
0.3370591402053833... | {
"a": 6.829434871673584,
"b": 6.829434871673584,
"c": 5.478579044342041,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Lu3Mg | hard_negative | false | null | 0 | 0.033459 | 0.018159 | true | [
"metallic"
] | null |
mp-1185477 | [
"Li",
"Te"
] | [
3,
3,
52,
52,
52,
52,
52,
52
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.166934996843338,
0.333869993686676,
0.25
],
[
0.166934996843338,
0.8330649733543396,
0.25
],
[
0.666130006313324,
0.8330649733543396,
0.... | {
"a": 6.182531833648682,
"b": 6.182531833648682,
"c": 7.703843116760254,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | LiTe3 | hard_negative | true | 2 | 0 | 0.24709 | -0.449918 | true | [
"li",
"metallic"
] | null |
mp-1185478 | [
"In",
"Lu"
] | [
71,
71,
71,
71,
71,
71,
49,
49
] | 8 | 2 | [
[
0.16937826573848724,
0.3387565314769745,
0.25
],
[
0.16937826573848724,
0.8306217193603516,
0.25
],
[
0.6612434983253479,
0.8306217193603516,
0.25
],
[
0.8306217193603516,
0.6612434983253479,
0.75
],
[
0.8306217193603516,
0.16937826573848724,... | {
"a": 6.6822710037231445,
"b": 6.6822710037231445,
"c": 5.481662750244141,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Lu3In | hard_negative | false | null | 0 | 0.004462 | -0.326272 | true | [
"metallic"
] | null |
mp-1185479 | [
"Sc",
"Lu"
] | [
71,
71,
71,
71,
71,
71,
21,
21
] | 8 | 2 | [
[
0.1682174950838089,
0.3364349901676178,
0.25
],
[
0.1682174950838089,
0.8317825198173523,
0.25
],
[
0.6635650396347046,
0.8317825198173523,
0.25
],
[
0.8317825198173523,
0.6635650396347046,
0.75
],
[
0.8317825198173523,
0.1682174950838089,
... | {
"a": 6.953003883361816,
"b": 6.953003883361816,
"c": 5.377769947052002,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Lu3Sc | hard_negative | false | null | 0 | 0.019005 | 0.019005 | true | [
"metallic"
] | null |
mp-11855 | [
"Mn",
"Er"
] | [
68,
68,
68,
68,
25,
25,
25,
25,
25,
25,
25,
25
] | 12 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.4319877326488495
],
[
0.6666666865348816,
0.3333333432674408,
0.9319877624511719
],
[
0.6666666865348816,
0.3333333432674408,
0.5680122375488281
],
[
0.3333333432674408,
0.6666666865348816,
0.06801225990056992
... | {
"a": 5.459348201751709,
"b": 5.459348201751709,
"c": 8.870131492614746,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | ErMn2 | hard_negative | false | null | 0 | 0 | -0.1293 | true | [
"metallic"
] | null |
mp-1185520 | [
"Lu",
"Bi"
] | [
71,
71,
83,
83,
83,
83,
83,
83
] | 8 | 2 | [
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.3458330035209656,
0.1729165017604828,
0.75
],
[
0.8270835280418396,
0.1729165017604828,
0.75
],
[
0.8270835280418396,
0.6541669964790344,
... | {
"a": 6.82306432723999,
"b": 6.82306432723999,
"c": 5.960349082946777,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | LuBi3 | hard_negative | false | null | 0 | 0.131692 | -0.328516 | true | [
"metallic"
] | null |
mp-1185522 | [
"Lu",
"Tl"
] | [
71,
71,
71,
71,
71,
71,
81,
81
] | 8 | 2 | [
[
0.16830924153327942,
0.33661848306655884,
0.25
],
[
0.6633815169334412,
0.831690788269043,
0.25
],
[
0.16830924153327942,
0.831690788269043,
0.25
],
[
0.831690788269043,
0.6633815169334412,
0.75
],
[
0.33661848306655884,
0.16830924153327942,
... | {
"a": 6.667924880981445,
"b": 6.667924880981445,
"c": 5.5126118659973145,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Lu3Tl | hard_negative | false | null | 0 | 0.032578 | -0.13999 | true | [
"metallic"
] | null |
mp-1185523 | [
"Lu",
"Ta"
] | [
71,
71,
73,
73,
73,
73,
73,
73
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.1494865119457245,
0.298973023891449,
0.25
],
[
0.701026976108551,
0.8505134582519531,
0.25
],
[
0.1494865119457245,
0.8505134582519531,
... | {
"a": 6.239258289337158,
"b": 6.239258289337158,
"c": 4.991449356079102,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | LuTa3 | hard_negative | false | null | 0 | 0.322209 | 0.322209 | true | [
"metallic"
] | null |
mp-1185525 | [
"Lu",
"Th"
] | [
71,
71,
71,
71,
71,
71,
90,
90
] | 8 | 2 | [
[
0.3321230113506317,
0.16606150567531586,
0.75
],
[
0.833938479423523,
0.16606150567531586,
0.75
],
[
0.833938479423523,
0.6678770184516907,
0.75
],
[
0.6678770184516907,
0.833938479423523,
0.25
],
[
0.16606150567531586,
0.833938479423523,
... | {
"a": 7.0770368576049805,
"b": 7.0770368576049805,
"c": 5.638714790344238,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Lu3Th | hard_negative | false | null | 0 | 0.022322 | 0.022322 | true | [
"metallic"
] | null |
mp-1185526 | [
"Li",
"Gd"
] | [
3,
3,
64,
64,
64,
64,
64,
64
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.1698330044746399,
0.3396660089492798,
0.25
],
[
0.1698330044746399,
0.8301669955253601,
0.25
],
[
0.6603339910507202,
0.8301669955253601,
... | {
"a": 7.046393871307373,
"b": 7.046393871307373,
"c": 5.5787458419799805,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | LiGd3 | hard_negative | true | 2 | 0 | 0.144433 | 0.144433 | true | [
"li",
"metallic"
] | null |
mp-1185528 | [
"La",
"Eu"
] | [
57,
57,
57,
57,
57,
57,
63,
63
] | 8 | 2 | [
[
0.3274590075016022,
0.1637295037508011,
0.75
],
[
0.8362705111503601,
0.1637295037508011,
0.75
],
[
0.8362705111503601,
0.6725410223007202,
0.75
],
[
0.6725410223007202,
0.8362705111503601,
0.25
],
[
0.1637295037508011,
0.8362705111503601,
... | {
"a": 7.556123733520508,
"b": 7.556123733520508,
"c": 5.976903915405273,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | La3Eu | hard_negative | false | null | 0 | 0.076603 | 0.076603 | true | [
"metallic"
] | null |
mp-1185530 | [
"Zr",
"Lu"
] | [
71,
71,
40,
40,
40,
40,
40,
40
] | 8 | 2 | [
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.3272063434123993,
0.16360317170619965,
0.75
],
[
0.8363968133926392,
0.16360317170619965,
0.75
],
[
0.8363968133926392,
0.6727936863899231,
... | {
"a": 6.6172099113464355,
"b": 6.6172099113464355,
"c": 5.176766395568848,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | LuZr3 | hard_negative | false | null | 0 | 0 | -0.00045 | true | [
"metallic"
] | null |
mp-1185538 | [
"As",
"Cs"
] | [
55,
55,
55,
55,
55,
55,
33,
33
] | 8 | 2 | [
[
0.3704007565975189,
0.18520037829875946,
0.75
],
[
0.8147996068000793,
0.18520037829875946,
0.75
],
[
0.8147996068000793,
0.6295992136001587,
0.75
],
[
0.6295992136001587,
0.8147996068000793,
0.25
],
[
0.18520037829875946,
0.8147996068000793,... | {
"a": 8.583548545837402,
"b": 8.583548545837402,
"c": 5.855694770812988,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Cs3As | hard_negative | false | null | 0 | 0.068962 | -0.146734 | true | [
"metallic"
] | null |
mp-1185558 | [
"K",
"Cs"
] | [
55,
55,
19,
19,
19,
19,
19,
19
] | 8 | 2 | [
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.3217443525791168,
0.1608721762895584,
0.75
],
[
0.8391278386116028,
0.1608721762895584,
0.75
],
[
0.8391278386116028,
0.6782556176185608,
... | {
"a": 9.970316886901855,
"b": 9.970316886901855,
"c": 8.204249382019043,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | CsK3 | hard_negative | false | null | 0 | 0.014353 | 0.014353 | true | [
"metallic"
] | null |
mp-1185563 | [
"Ca",
"Cs"
] | [
55,
55,
55,
55,
55,
55,
20,
20
] | 8 | 2 | [
[
0.3463900089263916,
0.1731950044631958,
0.75
],
[
0.8268049955368042,
0.1731950044631958,
0.75
],
[
0.8268049955368042,
0.6536099910736084,
0.75
],
[
0.6536099910736084,
0.8268049955368042,
0.25
],
[
0.1731950044631958,
0.8268049955368042,
... | {
"a": 10.191218376159668,
"b": 10.191218376159668,
"c": 7.96734094619751,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Cs3Ca | hard_negative | false | null | 0 | 0.217187 | 0.217187 | true | [
"metallic"
] | null |
mp-1185577 | [
"Cs",
"Hg"
] | [
55,
55,
80,
80,
80,
80,
80,
80
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.1372142732143402,
0.2744285464286804,
0.25
],
[
0.7255714535713196,
0.8627857565879822,
0.25
],
[
0.1372142732143402,
0.8627857565879822,
... | {
"a": 7.884225368499756,
"b": 7.884225368499756,
"c": 5.528326988220215,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | CsHg3 | hard_negative | false | null | 0 | 0.007734 | -0.218133 | true | [
"metallic"
] | null |
mp-1185588 | [
"Ag",
"Gd"
] | [
64,
64,
64,
64,
64,
64,
47,
47
] | 8 | 2 | [
[
0.345317006111145,
0.1726585030555725,
0.75
],
[
0.8273414969444275,
0.1726585030555725,
0.75
],
[
0.8273414969444275,
0.654682993888855,
0.75
],
[
0.654682993888855,
0.8273414969444275,
0.25
],
[
0.1726585030555725,
0.8273414969444275,
0... | {
"a": 6.924943923950195,
"b": 6.924943923950195,
"c": 5.450942039489746,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Gd3Ag | hard_negative | false | null | 0 | 0.126376 | 0.002434 | true | [
"metallic"
] | null |
mp-1185605 | [
"Se",
"La"
] | [
57,
57,
34,
34,
34,
34,
34,
34
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.17361900210380554,
0.3472380042076111,
0.25
],
[
0.17361900210380554,
0.8263810276985168,
0.25
],
[
0.6527619957923889,
0.8263810276985168,
... | {
"a": 6.1015400886535645,
"b": 6.1015400886535645,
"c": 6.052321910858154,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | LaSe3 | hard_negative | false | null | 0 | 0.141983 | -1.376879 | true | [
"metallic"
] | null |
mp-1185630 | [
"Mg",
"In"
] | [
12,
12,
49,
49,
49,
49,
49,
49
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.33496975898742676,
0.16748487949371338,
0.75
],
[
0.8325151205062866,
0.6650302410125732,
0.75
],
[
0.8325151205062866,
0.16748487949371338,... | {
"a": 6.459753036499023,
"b": 6.459753036499023,
"c": 5.448324680328369,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | MgIn3 | hard_negative | false | null | 0 | 0.047031 | 0.009025 | true | [
"metallic"
] | null |
mp-1185696 | [
"Be",
"Mg"
] | [
12,
12,
4,
4,
4,
4,
4,
4
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.2632940113544464,
0.1316470056772232,
0.75
],
[
0.868353009223938,
0.736706018447876,
0.75
],
[
0.868353009223938,
0.1316470056772232,
0... | {
"a": 5.467602252960205,
"b": 5.467602252960205,
"c": 3.6278910636901855,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | MgBe3 | hard_negative | false | null | 0 | 0.246431 | 0.246431 | true | [
"metallic"
] | null |
mp-1185697 | [
"Mg",
"Bi"
] | [
12,
12,
83,
83,
83,
83,
83,
83
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.34618398547172546,
0.17309199273586273,
0.75
],
[
0.8269079923629761,
0.6538159847259521,
0.75
],
[
0.8269079923629761,
0.17309199273586273,... | {
"a": 7.007229804992676,
"b": 7.007229804992676,
"c": 5.5840678215026855,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | MgBi3 | hard_negative | false | null | 0 | 0.111493 | 0.037049 | true | [
"metallic"
] | null |
mp-1185780 | [
"C",
"Mg"
] | [
12,
12,
12,
12,
12,
12,
6,
6
] | 8 | 2 | [
[
0.42124301195144653,
0.21062150597572327,
0.75
],
[
0.7893785238265991,
0.21062150597572327,
0.75
],
[
0.7893785238265991,
0.5787569880485535,
0.75
],
[
0.21062150597572327,
0.42124301195144653,
0.25
],
[
0.21062150597572327,
0.78937852382659... | {
"a": 7.749444007873535,
"b": 7.749444007873535,
"c": 3.0870978832244873,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Mg3C | hard_negative | false | null | 0 | 0.582026 | 0.582026 | true | [
"metallic"
] | null |
mp-1185783 | [
"N",
"Mg"
] | [
12,
12,
12,
12,
12,
12,
7,
7
] | 8 | 2 | [
[
0.34245800971984863,
0.17122900485992432,
0.75
],
[
0.8287709951400757,
0.6575419902801514,
0.75
],
[
0.8287709951400757,
0.17122900485992432,
0.75
],
[
0.17122900485992432,
0.8287709951400757,
0.25
],
[
0.17122900485992432,
0.342458009719848... | {
"a": 5.622217655181885,
"b": 5.622217655181885,
"c": 4.73150110244751,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Mg3N | hard_negative | false | null | 0 | 1.053854 | 0.464954 | true | [
"metallic"
] | null |
mp-1185784 | [
"Mg",
"Hg"
] | [
12,
12,
12,
12,
12,
12,
80,
80
] | 8 | 2 | [
[
0.3364594876766205,
0.16822974383831024,
0.75
],
[
0.8317702412605286,
0.6635404825210571,
0.75
],
[
0.8317702412605286,
0.16822974383831024,
0.75
],
[
0.16822974383831024,
0.8317702412605286,
0.25
],
[
0.16822974383831024,
0.3364594876766205... | {
"a": 6.248933792114258,
"b": 6.248933792114258,
"c": 4.86706018447876,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Mg3Hg | hard_negative | false | null | 0 | 0 | -0.132027 | true | [
"metallic"
] | null |
mp-1185785 | [
"Mg",
"Os"
] | [
12,
12,
12,
12,
12,
12,
76,
76
] | 8 | 2 | [
[
0.3532480001449585,
0.17662400007247925,
0.75
],
[
0.8233759999275208,
0.6467519998550415,
0.75
],
[
0.8233759999275208,
0.17662400007247925,
0.75
],
[
0.17662400007247925,
0.8233759999275208,
0.25
],
[
0.17662400007247925,
0.3532480001449585... | {
"a": 5.907756328582764,
"b": 5.907756328582764,
"c": 4.68057918548584,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Mg3Os | hard_negative | false | null | 0 | 0.172711 | 0.094687 | true | [
"metallic"
] | null |
mp-1185787 | [
"Mg",
"Pb"
] | [
12,
12,
12,
12,
12,
12,
82,
82
] | 8 | 2 | [
[
0.3283919095993042,
0.1641959547996521,
0.75
],
[
0.8358040452003479,
0.6716080904006958,
0.75
],
[
0.8358040452003479,
0.1641959547996521,
0.75
],
[
0.1641959547996521,
0.8358040452003479,
0.25
],
[
0.1641959547996521,
0.3283919095993042,
... | {
"a": 6.343106269836426,
"b": 6.343106269836426,
"c": 5.349697589874268,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Mg3Pb | hard_negative | false | null | 0 | 0.012503 | -0.014777 | true | [
"metallic"
] | null |
mp-1185788 | [
"Mg",
"Cr"
] | [
12,
12,
12,
12,
12,
12,
24,
24
] | 8 | 2 | [
[
0.3416000008583069,
0.17080000042915344,
0.75
],
[
0.829200029373169,
0.6583999991416931,
0.75
],
[
0.829200029373169,
0.17080000042915344,
0.75
],
[
0.17080000042915344,
0.829200029373169,
0.25
],
[
0.17080000042915344,
0.3416000008583069,
... | {
"a": 6.187002182006836,
"b": 6.187002182006836,
"c": 4.982183933258057,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Mg3Cr | hard_negative | false | null | 0 | 0.286628 | 0.286628 | true | [
"metallic"
] | null |
mp-1185789 | [
"Mg",
"Fe"
] | [
12,
12,
12,
12,
12,
12,
26,
26
] | 8 | 2 | [
[
0.34602999687194824,
0.17301499843597412,
0.75
],
[
0.8269850015640259,
0.17301499843597412,
0.75
],
[
0.8269850015640259,
0.6539700031280518,
0.75
],
[
0.17301499843597412,
0.34602999687194824,
0.25
],
[
0.17301499843597412,
0.82698500156402... | {
"a": 5.929684162139893,
"b": 5.929684162139893,
"c": 4.8442769050598145,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Mg3Fe | hard_negative | false | null | 0 | 0.242228 | 0.242228 | true | [
"metallic"
] | null |
mp-1185794 | [
"Mg",
"Re"
] | [
12,
12,
12,
12,
12,
12,
75,
75
] | 8 | 2 | [
[
0.34922999143600464,
0.17461499571800232,
0.75
],
[
0.8253849744796753,
0.6507700085639954,
0.75
],
[
0.8253849744796753,
0.17461499571800232,
0.75
],
[
0.17461499571800232,
0.8253849744796753,
0.25
],
[
0.17461499571800232,
0.349229991436004... | {
"a": 5.909661769866943,
"b": 5.909661769866943,
"c": 4.814781188964844,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Mg3Re | hard_negative | false | null | 0 | 0.435938 | 0.435938 | true | [
"metallic"
] | null |
mp-1185796 | [
"Mg",
"Tc"
] | [
12,
12,
12,
12,
12,
12,
43,
43
] | 8 | 2 | [
[
0.3482150137424469,
0.17410750687122345,
0.75
],
[
0.8258925080299377,
0.6517850160598755,
0.75
],
[
0.8258925080299377,
0.17410750687122345,
0.75
],
[
0.17410750687122345,
0.8258925080299377,
0.25
],
[
0.17410750687122345,
0.3482150137424469... | {
"a": 5.915659427642822,
"b": 5.915659427642822,
"c": 4.823955059051514,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Mg3Tc | hard_negative | false | null | 0 | 0.239333 | 0.239333 | true | [
"metallic"
] | null |
mp-1185799 | [
"Mg",
"Pa"
] | [
12,
12,
12,
12,
12,
12,
91,
91
] | 8 | 2 | [
[
0.3271769881248474,
0.1635884940624237,
0.75
],
[
0.8364114761352539,
0.6728230118751526,
0.75
],
[
0.8364114761352539,
0.1635884940624237,
0.75
],
[
0.1635884940624237,
0.8364114761352539,
0.25
],
[
0.1635884940624237,
0.3271769881248474,
... | {
"a": 6.626905918121338,
"b": 6.626905918121338,
"c": 5.146158218383789,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Mg3Pa | hard_negative | false | null | 0 | 0.342564 | 0.342564 | true | [
"metallic"
] | null |
mp-1185808 | [
"Mg",
"V"
] | [
12,
12,
12,
12,
12,
12,
23,
23
] | 8 | 2 | [
[
0.34227898716926575,
0.17113949358463287,
0.75
],
[
0.8288605213165283,
0.6577209830284119,
0.75
],
[
0.8288605213165283,
0.17113949358463287,
0.75
],
[
0.17113949358463287,
0.8288605213165283,
0.25
],
[
0.17113949358463287,
0.342278987169265... | {
"a": 6.186490058898926,
"b": 6.186490058898926,
"c": 4.952310085296631,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Mg3V | hard_negative | false | null | 0 | 0.335818 | 0.335818 | true | [
"metallic"
] | null |
mp-1185853 | [
"Mg",
"Co"
] | [
12,
12,
27,
27,
27,
27,
27,
27
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3187650144100189,
0.15938250720500946,
0.75
],
[
0.8406174778938293,
0.15938250720500946,
0.75
],
[
0.8406174778938293,
0.6812350153923035,
... | {
"a": 5.214722156524658,
"b": 5.214722156524658,
"c": 4.1977858543396,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | MgCo3 | hard_negative | false | null | 0 | 0.190543 | 0.190543 | true | [
"metallic"
] | null |
mp-1185868 | [
"Mg",
"Ge"
] | [
12,
12,
32,
32,
32,
32,
32,
32
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.32139599323272705,
0.16069799661636353,
0.75
],
[
0.8393020033836365,
0.16069799661636353,
0.75
],
[
0.8393020033836365,
0.678604006767273,
... | {
"a": 5.9351582527160645,
"b": 5.9351582527160645,
"c": 5.083528995513916,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | MgGe3 | hard_negative | false | null | 0 | 0.222222 | 0.093261 | true | [
"metallic"
] | null |
mp-1185906 | [
"Mg",
"I"
] | [
12,
12,
53,
53,
53,
53,
53,
53
] | 8 | 2 | [
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.21683309972286224,
0.4336661994457245,
0.25
],
[
0.21683309972286224,
0.7831668853759766,
0.25
],
[
0.5663337707519531,
0.7831668853759766,
... | {
"a": 11.679425239562988,
"b": 11.679425239562988,
"c": 3.4869327545166016,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | MgI3 | hard_negative | false | null | 0 | 0.106825 | -0.871009 | true | [
"halide",
"metallic"
] | null |
mp-1185907 | [
"Mg",
"Ni"
] | [
12,
12,
28,
28,
28,
28,
28,
28
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.31946301460266113,
0.15973150730133057,
0.75
],
[
0.8402684926986694,
0.6805369853973389,
0.75
],
[
0.8402684926986694,
0.15973150730133057,... | {
"a": 5.203804016113281,
"b": 5.203804016113281,
"c": 4.161533832550049,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | MgNi3 | hard_negative | false | null | 0 | 0.094736 | -0.063126 | true | [
"metallic"
] | null |
mp-1185910 | [
"Mg",
"Os"
] | [
12,
12,
76,
76,
76,
76,
76,
76
] | 8 | 2 | [
[
0.3333333432674408,
0.6666666865348816,
0.75
],
[
0.6666666865348816,
0.3333333432674408,
0.25
],
[
0.33991000056266785,
0.16995500028133392,
0.75
],
[
0.8300449848175049,
0.6600900292396545,
0.75
],
[
0.8300449848175049,
0.16995500028133392,... | {
"a": 5.538010120391846,
"b": 5.538010120391846,
"c": 4.424961090087891,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | MgOs3 | hard_negative | false | null | 0 | 0.396596 | 0.344579 | true | [
"metallic"
] | null |
mp-1185930 | [
"Mn",
"Sb"
] | [
25,
25,
25,
25,
25,
25,
51,
51
] | 8 | 2 | [
[
0.30591198801994324,
0.15295599400997162,
0.75
],
[
0.8470439910888672,
0.15295599400997162,
0.75
],
[
0.8470439910888672,
0.6940879821777344,
0.75
],
[
0.6940879821777344,
0.8470439910888672,
0.25
],
[
0.15295599400997162,
0.8470439910888672... | {
"a": 5.4141058921813965,
"b": 5.4141058921813965,
"c": 4.344706058502197,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Mn3Sb | hard_negative | false | null | 0 | 0.107678 | -0.05388 | true | [
"metallic"
] | null |
mp-1185931 | [
"Mn",
"Pt"
] | [
25,
25,
25,
25,
25,
25,
78,
78
] | 8 | 2 | [
[
0.15111349523067474,
0.3022269904613495,
0.25
],
[
0.6977729797363281,
0.8488864898681641,
0.25
],
[
0.15111349523067474,
0.8488864898681641,
0.25
],
[
0.8488864898681641,
0.6977729797363281,
0.75
],
[
0.3022269904613495,
0.15111349523067474,... | {
"a": 5.229389190673828,
"b": 5.229389190673828,
"c": 4.050710201263428,
"alpha": 90,
"beta": 90,
"gamma": 120
} | 194 | Mn3Pt | hard_negative | false | null | 0 | 0.010748 | -0.162353 | true | [
"metallic"
] | null |
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