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-9545 | [
"C",
"Tm"
] | [
69,
69,
69,
69,
69,
69,
69,
69,
69,
69,
69,
69,
69,
69,
69,
69,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 40 | 2 | [
[
0.30031800270080566,
0.30031800270080566,
0.30031800270080566
],
[
0.9496819972991943,
0.44968199729919434,
0.050317998975515366
],
[
0.44968199729919434,
0.050317998975515366,
0.9496819972991943
],
[
0.050317998975515366,
0.9496819972991943,
0.449681997... | {
"a": 8.090317726135254,
"b": 8.090317726135254,
"c": 8.090317726135254,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 220 | Tm2C3 | hard_negative | false | null | 0 | 0.067324 | -0.457055 | true | [
"metallic"
] | null |
mp-10015 | [
"Si",
"Os"
] | [
14,
76
] | 2 | 2 | [
[
0.5,
0.5,
0.5
],
[
0,
0,
0
]
] | {
"a": 2.937788963317871,
"b": 2.937788963317871,
"c": 2.937788963317871,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | SiOs | hard_negative | false | null | 0 | 0.027129 | -0.365353 | true | [
"metallic"
] | null |
mp-1001788 | [
"B",
"Zr"
] | [
40,
5,
5,
5,
5,
5,
5
] | 7 | 2 | [
[
0,
0,
0
],
[
0.19761399924755096,
0.5,
0.5
],
[
0.5,
0.5,
0.8023859858512878
],
[
0.5,
0.5,
0.19761399924755096
],
[
0.5,
0.19761399924755096,
0.5
],
[
0.5,
0.8023859858512878,
0.5
],
[
0.8023859858512878,
0.5,... | {
"a": 4.058773994445801,
"b": 4.058773994445801,
"c": 4.058773994445801,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | ZrB6 | hard_negative | false | null | 0 | 0.402276 | -0.054885 | true | [
"metallic"
] | null |
mp-1001834 | [
"N",
"Hf"
] | [
72,
7
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 2.816175937652588,
"b": 2.816175937652588,
"c": 2.816175937652588,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | HfN | hard_negative | false | null | 0 | 0.99135 | -0.991128 | true | [
"metallic"
] | null |
mp-1001843 | [
"P",
"Ho"
] | [
67,
15
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.4531850814819336,
"b": 3.4531850814819336,
"c": 3.4531850814819336,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | HoP | hard_negative | false | null | 0 | 0.547366 | -1.304263 | true | [
"metallic"
] | null |
mp-1001844 | [
"N",
"Ho"
] | [
67,
7
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 2.980329990386963,
"b": 2.980329990386963,
"c": 2.980329990386963,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | HoN | hard_negative | false | null | 0 | 0.938199 | -1.121465 | true | [
"metallic"
] | null |
mp-1001913 | [
"Ho",
"Bi"
] | [
67,
83
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.8830220699310303,
"b": 3.8830220699310303,
"c": 3.8830220699310303,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | HoBi | hard_negative | false | null | 0 | 0.269878 | -0.775401 | true | [
"metallic"
] | null |
mp-1001917 | [
"As",
"Ho"
] | [
67,
33
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.560889959335327,
"b": 3.560889959335327,
"c": 3.560889959335327,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | HoAs | hard_negative | false | null | 0 | 0.481825 | -1.316794 | true | [
"metallic"
] | null |
mp-1001918 | [
"C",
"Hf"
] | [
72,
6
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 2.896251916885376,
"b": 2.896251916885376,
"c": 2.896251916885376,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | HfC | hard_negative | false | null | 0 | 1.339074 | 0.216178 | true | [
"metallic"
] | null |
mp-1002105 | [
"N",
"V"
] | [
23,
7
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 2.5481040477752686,
"b": 2.5481040477752686,
"c": 2.5481040477752686,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | VN | hard_negative | false | null | 0 | 0.678369 | -0.674159 | true | [
"metallic"
] | null |
mp-1002106 | [
"Pd",
"Hf"
] | [
72,
46
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.30558443069458,
"b": 3.30558443069458,
"c": 3.30558443069458,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | HfPd | hard_negative | false | null | 0 | 0.103405 | -0.602906 | true | [
"metallic"
] | null |
mp-1002109 | [
"V",
"Co"
] | [
23,
27
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 2.890427827835083,
"b": 2.890427827835083,
"c": 2.890427827835083,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | VCo | hard_negative | false | null | 0 | 0 | -0.149045 | true | [
"metallic"
] | null |
mp-1002117 | [
"N",
"Tc"
] | [
43,
7
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 2.6810719966888428,
"b": 2.6810719966888428,
"c": 2.6810719966888428,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | TcN | hard_negative | false | null | 0 | 0.764661 | 0.589942 | true | [
"metallic"
] | null |
mp-1002122 | [
"Hf",
"Ir"
] | [
72,
77
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.2621147632598877,
"b": 3.2621147632598877,
"c": 3.2621147632598877,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | HfIr | hard_negative | false | null | 0 | 0.042428 | -0.905559 | true | [
"metallic"
] | null |
mp-1002183 | [
"B",
"Tc"
] | [
43,
5
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 2.7334060668945312,
"b": 2.7334060668945312,
"c": 2.7334060668945312,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | TcB | hard_negative | false | null | 0 | 0.52084 | 0.104597 | true | [
"metallic"
] | null |
mp-1002207 | [
"N",
"Re"
] | [
75,
7
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 2.7141239643096924,
"b": 2.7141239643096924,
"c": 2.7141239643096924,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | ReN | hard_negative | false | null | 0 | 1.133216 | 1.073901 | true | [
"metallic"
] | null |
mp-1002210 | [
"S",
"Eu"
] | [
63,
16
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.555928945541382,
"b": 3.555928945541382,
"c": 3.555928945541382,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | EuS | hard_negative | false | null | 0 | 0.33348 | -2.129086 | true | [
"sulfide",
"metallic"
] | null |
mp-1002220 | [
"Sb",
"Tm"
] | [
69,
51
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.756588935852051,
"b": 3.756588935852051,
"c": 3.756588935852051,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | TmSb | hard_negative | false | null | 0 | 0.346966 | -0.945356 | true | [
"metallic"
] | null |
mp-1002223 | [
"P",
"Dy"
] | [
66,
15
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.4720890522003174,
"b": 3.4720890522003174,
"c": 3.4720890522003174,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | DyP | hard_negative | false | null | 0 | 0.540332 | -1.316034 | true | [
"metallic"
] | null |
mp-1002224 | [
"P",
"Er"
] | [
68,
15
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.436716079711914,
"b": 3.436716079711914,
"c": 3.436716079711914,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | ErP | hard_negative | false | null | 0 | 0.553666 | -1.288526 | true | [
"metallic"
] | null |
mp-1002226 | [
"As",
"Er"
] | [
68,
33
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.547400951385498,
"b": 3.547400951385498,
"c": 3.547400951385498,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | ErAs | hard_negative | false | null | 0 | 0.49037 | -1.291079 | true | [
"metallic"
] | null |
mp-1002228 | [
"C",
"Pt"
] | [
78,
6
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 2.8160510063171387,
"b": 2.8160510063171387,
"c": 2.8160510063171387,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | PtC | hard_negative | false | null | 0 | 2.009089 | 2.009089 | true | [
"metallic"
] | null |
mp-1002229 | [
"N",
"Er"
] | [
68,
7
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 2.9641621112823486,
"b": 2.9641621112823486,
"c": 2.9641621112823486,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | ErN | hard_negative | false | null | 0 | 0.956744 | -1.142865 | true | [
"metallic"
] | null |
mp-1002230 | [
"Bi",
"Pu"
] | [
94,
83
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.8831162452697754,
"b": 3.8831162452697754,
"c": 3.8831162452697754,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | PuBi | hard_negative | false | null | 0 | 0.097359 | -0.64167 | true | [
"metallic"
] | null |
mp-1004 | [
"Si",
"Nb"
] | [
41,
41,
41,
14
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0,
0
]
] | {
"a": 4.083868980407715,
"b": 4.083868980407715,
"c": 4.083868980407715,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Nb3Si | hard_negative | false | null | 0 | 0.21957 | -0.262573 | true | [
"metallic"
] | null |
mp-1004377 | [
"B",
"Hf"
] | [
72,
5,
5,
5,
5,
5,
5
] | 7 | 2 | [
[
0,
0,
0
],
[
0.19684000313282013,
0.5,
0.5
],
[
0.5,
0.5,
0.8031600117683411
],
[
0.5,
0.5,
0.19684000313282013
],
[
0.5,
0.19684000313282013,
0.5
],
[
0.5,
0.8031600117683411,
0.5
],
[
0.8031600117683411,
0.5,... | {
"a": 4.036159992218018,
"b": 4.036159992218018,
"c": 4.036159992218018,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | HfB6 | hard_negative | false | null | 0 | 0.535675 | 0.07074 | true | [
"metallic"
] | null |
mp-1005719 | [
"Sm",
"Np"
] | [
62,
62,
62,
93
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 5.035356044769287,
"b": 5.035356044769287,
"c": 5.035356044769287,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Sm3Np | hard_negative | false | null | 0 | 0.369702 | 0.369702 | true | [
"metallic"
] | null |
mp-1005727 | [
"Tm",
"Np"
] | [
69,
93,
93,
93
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 4.616898059844971,
"b": 4.616898059844971,
"c": 4.616898059844971,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | TmNp3 | hard_negative | false | null | 0 | 0.670957 | 0.670957 | true | [
"metallic"
] | null |
mp-1006115 | [
"Ho",
"Pu"
] | [
67,
67,
67,
94
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.956636905670166,
"b": 4.956636905670166,
"c": 4.956636905670166,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Ho3Pu | hard_negative | false | null | 0 | 0.652568 | 0.652568 | true | [
"metallic"
] | null |
mp-1006245 | [
"Er",
"Np"
] | [
68,
93,
93,
93
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
]
] | {
"a": 4.691812992095947,
"b": 4.691812992095947,
"c": 4.691812992095947,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | ErNp3 | hard_negative | false | null | 0 | 0.683811 | 0.683811 | true | [
"metallic"
] | null |
mp-1006246 | [
"Ce",
"Sm"
] | [
58,
62,
62,
62
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 5.075378894805908,
"b": 5.075378894805908,
"c": 5.075378894805908,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | CeSm3 | hard_negative | false | null | 0 | 0.077931 | 0.077931 | true | [
"metallic"
] | null |
mp-1006330 | [
"Cu",
"Ce"
] | [
58,
58,
58,
29
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.586054801940918,
"b": 4.586054801940918,
"c": 4.586054801940918,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Ce3Cu | hard_negative | false | null | 0 | 0.212659 | 0.171097 | true | [
"metallic"
] | null |
mp-1006883 | [
"Co",
"Ni"
] | [
27,
28
] | 2 | 2 | [
[
0.5,
0.5,
0.5
],
[
0,
0,
0
]
] | {
"a": 2.8021929264068604,
"b": 2.8021929264068604,
"c": 2.8021929264068604,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | CoNi | hard_negative | false | null | 0 | 0.169578 | 0.154102 | true | [
"metallic"
] | null |
mp-1006884 | [
"Co",
"Mo"
] | [
27,
42
] | 2 | 2 | [
[
0.5,
0.5,
0.5
],
[
0,
0,
0
]
] | {
"a": 2.999743938446045,
"b": 2.999743938446045,
"c": 2.999743938446045,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | CoMo | hard_negative | false | null | 0 | 0.291092 | 0.291092 | true | [
"metallic"
] | null |
mp-1006886 | [
"S",
"Ce"
] | [
58,
16
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.5125010013580322,
"b": 3.5125010013580322,
"c": 3.5125010013580322,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | CeS | hard_negative | false | null | 0 | 0.372125 | -1.869643 | true | [
"sulfide",
"metallic"
] | null |
mp-1007656 | [
"Pd",
"Hf"
] | [
72,
46,
46,
46
] | 4 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
]
] | {
"a": 3.9785711765289307,
"b": 3.9785711765289307,
"c": 3.9785711765289307,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | HfPd3 | hard_negative | false | null | 0 | 0.014758 | -0.881713 | true | [
"metallic"
] | null |
mp-1007657 | [
"Ru",
"Hf"
] | [
72,
44,
44,
44
] | 4 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
]
] | {
"a": 3.955773115158081,
"b": 3.955773115158081,
"c": 3.955773115158081,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | HfRu3 | hard_negative | false | null | 0 | 0.190134 | -0.261035 | true | [
"metallic"
] | null |
mp-1007690 | [
"Pt",
"Hg"
] | [
80,
78,
78,
78
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
]
] | {
"a": 4.072569847106934,
"b": 4.072569847106934,
"c": 4.072569847106934,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | HgPt3 | hard_negative | false | null | 0 | 0.102996 | 0.064539 | true | [
"metallic"
] | null |
mp-1007693 | [
"Hf",
"Os"
] | [
72,
76,
76,
76
] | 4 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
]
] | {
"a": 3.9735610485076904,
"b": 3.9735610485076904,
"c": 3.9735610485076904,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | HfOs3 | hard_negative | false | null | 0 | 0.259099 | -0.163858 | true | [
"metallic"
] | null |
mp-1007730 | [
"Al",
"Hf"
] | [
72,
13,
13,
13
] | 4 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
]
] | {
"a": 4.059419631958008,
"b": 4.059419631958008,
"c": 4.059419631958008,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | HfAl3 | hard_negative | false | null | 0 | 0.026836 | -0.410447 | true | [
"metallic"
] | null |
mp-1007819 | [
"Co",
"W"
] | [
27,
74
] | 2 | 2 | [
[
0.5,
0.5,
0.5
],
[
0,
0,
0
]
] | {
"a": 3.005228042602539,
"b": 3.005228042602539,
"c": 3.005228042602539,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | CoW | hard_negative | false | null | 0 | 0.353818 | 0.353818 | true | [
"metallic"
] | null |
mp-1007852 | [
"Fe",
"Co"
] | [
26,
27,
27,
27
] | 4 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
]
] | {
"a": 3.535702705383301,
"b": 3.535702705383301,
"c": 3.535702705383301,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | FeCo3 | hard_negative | false | null | 0 | 0.056625 | 0.028938 | true | [
"metallic"
] | null |
mp-1007974 | [
"Cr",
"Ni"
] | [
24,
28,
28,
28
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
]
] | {
"a": 3.544564962387085,
"b": 3.544564962387085,
"c": 3.544564962387085,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | CrNi3 | hard_negative | false | null | 0 | 0.00795 | 0.00795 | true | [
"metallic"
] | null |
mp-1008 | [
"Ni",
"Hg"
] | [
28,
80
] | 2 | 2 | [
[
0.5,
0.5,
0.5
],
[
0,
0,
0
]
] | {
"a": 3.1523540019989014,
"b": 3.1523540019989014,
"c": 3.1523540019989014,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | NiHg | hard_negative | false | null | 0 | 0.218531 | 0.218531 | true | [
"metallic"
] | null |
mp-1008274 | [
"Co",
"W"
] | [
27,
27,
27,
74
] | 4 | 2 | [
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0,
0,
0
]
] | {
"a": 3.566873073577881,
"b": 3.566873073577881,
"c": 3.566873073577881,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Co3W | hard_negative | false | null | 0 | 0.14703 | 0.14703 | true | [
"metallic"
] | null |
mp-1008278 | [
"Cr",
"Ni"
] | [
24,
24,
24,
28
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0,
0
]
] | {
"a": 3.5692710876464844,
"b": 3.5692710876464844,
"c": 3.5692710876464844,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Cr3Ni | hard_negative | false | null | 0 | 0.157265 | 0.157265 | true | [
"metallic"
] | null |
mp-1008279 | [
"Co",
"Mo"
] | [
27,
27,
27,
42
] | 4 | 2 | [
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0,
0,
0
]
] | {
"a": 3.562666416168213,
"b": 3.562666416168213,
"c": 3.562666416168213,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Co3Mo | hard_negative | false | null | 0 | 0.18429 | 0.18429 | true | [
"metallic"
] | null |
mp-1008280 | [
"Cr",
"Co"
] | [
24,
27,
27,
27
] | 4 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
]
] | {
"a": 3.5399720668792725,
"b": 3.5399720668792725,
"c": 3.5399720668792725,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | CrCo3 | hard_negative | false | null | 0 | 0.155228 | 0.155228 | true | [
"metallic"
] | null |
mp-1008285 | [
"Cr",
"Fe"
] | [
24,
24,
24,
26
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0,
0
]
] | {
"a": 3.5726799964904785,
"b": 3.5726799964904785,
"c": 3.5726799964904785,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Cr3Fe | hard_negative | false | null | 0 | 0.259411 | 0.259411 | true | [
"metallic"
] | null |
mp-1008349 | [
"Co",
"Ni"
] | [
27,
27,
27,
28
] | 4 | 2 | [
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0,
0,
0
]
] | {
"a": 3.496518850326538,
"b": 3.496518850326538,
"c": 3.496518850326538,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Co3Ni | hard_negative | false | null | 0 | 0.015651 | -0.007563 | true | [
"metallic"
] | null |
mp-1008489 | [
"N",
"Cd"
] | [
48,
7
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 2.9868369102478027,
"b": 2.9868369102478027,
"c": 2.9868369102478027,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | CdN | hard_negative | false | null | 0 | 1.173689 | 1.173689 | true | [
"metallic"
] | null |
mp-1008554 | [
"Al",
"V"
] | [
13,
13,
13,
23
] | 4 | 2 | [
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0,
0,
0
]
] | {
"a": 3.9053521156311035,
"b": 3.9053521156311035,
"c": 3.9053521156311035,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Al3V | hard_negative | false | null | 0 | 0.138591 | -0.205302 | true | [
"metallic"
] | null |
mp-1008555 | [
"Al",
"Cu"
] | [
13,
29,
29,
29
] | 4 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
]
] | {
"a": 3.6373767852783203,
"b": 3.6373767852783203,
"c": 3.6373767852783203,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | AlCu3 | hard_negative | false | null | 0 | 0.008517 | -0.193452 | true | [
"metallic"
] | null |
mp-1008630 | [
"C",
"W"
] | [
74,
6
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 2.733433961868286,
"b": 2.733433961868286,
"c": 2.733433961868286,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | WC | hard_negative | false | null | 0 | 0.898999 | 0.745458 | true | [
"metallic"
] | null |
mp-1008650 | [
"Se",
"Ce"
] | [
58,
34
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.6476221084594727,
"b": 3.6476221084594727,
"c": 3.6476221084594727,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | CeSe | hard_negative | false | null | 0 | 0.256403 | -1.792475 | true | [
"metallic"
] | null |
mp-1008752 | [
"Te",
"Ce"
] | [
58,
52
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.8609390258789062,
"b": 3.8609390258789062,
"c": 3.8609390258789062,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | CeTe | hard_negative | false | null | 0 | 0.118343 | -1.453523 | true | [
"metallic"
] | null |
mp-1008923 | [
"N",
"Cu"
] | [
29,
7
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 2.6069860458374023,
"b": 2.6069860458374023,
"c": 2.6069860458374023,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | CuN | hard_negative | false | null | 0 | 1.220494 | 1.220494 | true | [
"metallic"
] | null |
mp-1008924 | [
"Sb",
"Dy"
] | [
66,
51
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.803518056869507,
"b": 3.803518056869507,
"c": 3.803518056869507,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | DySb | hard_negative | false | null | 0 | 0.341895 | -0.872668 | true | [
"metallic"
] | null |
mp-1008928 | [
"Se",
"Eu"
] | [
63,
34
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.776021957397461,
"b": 3.776021957397461,
"c": 3.776021957397461,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | EuSe | hard_negative | false | null | 0 | 0.293429 | -2.063869 | true | [
"metallic"
] | null |
mp-1008931 | [
"Sb",
"Er"
] | [
68,
51
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.7739179134368896,
"b": 3.7739179134368896,
"c": 3.7739179134368896,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | ErSb | hard_negative | false | null | 0 | 0.346587 | -0.964486 | true | [
"metallic"
] | null |
mp-1008985 | [
"N",
"Co"
] | [
27,
7
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 2.5213119983673096,
"b": 2.5213119983673096,
"c": 2.5213119983673096,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | CoN | hard_negative | false | null | 0 | 0.872395 | 0.872395 | true | [
"metallic"
] | null |
mp-1008998 | [
"S",
"La"
] | [
57,
16
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.5754520893096924,
"b": 3.5754520893096924,
"c": 3.5754520893096924,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | LaS | hard_negative | false | null | 0 | 0.319615 | -2.110797 | true | [
"sulfide",
"metallic"
] | null |
mp-1008999 | [
"Se",
"La"
] | [
57,
34
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.71357798576355,
"b": 3.71357798576355,
"c": 3.71357798576355,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | LaSe | hard_negative | false | null | 0 | 0.243305 | -2.020678 | true | [
"metallic"
] | null |
mp-1009005 | [
"N",
"Ir"
] | [
77,
7
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 2.756920099258423,
"b": 2.756920099258423,
"c": 2.756920099258423,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | IrN | hard_negative | false | null | 0 | 1.499975 | 1.499975 | true | [
"metallic"
] | null |
mp-1009007 | [
"Sb",
"Lu"
] | [
71,
51
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.7410290241241455,
"b": 3.7410290241241455,
"c": 3.7410290241241455,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | LuSb | hard_negative | false | null | 0 | 0.349542 | -0.883673 | true | [
"metallic"
] | null |
mp-1009008 | [
"Te",
"La"
] | [
57,
52
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.936091899871826,
"b": 3.936091899871826,
"c": 3.936091899871826,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | LaTe | hard_negative | false | null | 0 | 0.12929 | -1.675274 | true | [
"metallic"
] | null |
mp-1009009 | [
"Li",
"F"
] | [
3,
9
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 2.55953311920166,
"b": 2.55953311920166,
"c": 2.55953311920166,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | LiF | electrolyte_relevant | true | 1 | 7.5593 | 0.287542 | -2.901403 | false | [
"li",
"halide",
"electrolyte_candidate"
] | null |
mp-1009016 | [
"As",
"Lu"
] | [
71,
33
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.5094590187072754,
"b": 3.5094590187072754,
"c": 3.5094590187072754,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | LuAs | hard_negative | false | null | 0 | 0.499152 | -1.23753 | true | [
"metallic"
] | null |
mp-1009017 | [
"Sb",
"Ho"
] | [
67,
51
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.7920889854431152,
"b": 3.7920889854431152,
"c": 3.7920889854431152,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | HoSb | hard_negative | false | null | 0 | 0.34497 | -0.997529 | true | [
"metallic"
] | null |
mp-1009018 | [
"Ag",
"In"
] | [
49,
47
] | 2 | 2 | [
[
0.5,
0.5,
0.5
],
[
0,
0,
0
]
] | {
"a": 3.4647886753082275,
"b": 3.4647886753082275,
"c": 3.4647886753082275,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | InAg | hard_negative | false | null | 0 | 0.106581 | 0.054609 | true | [
"metallic"
] | null |
mp-1009019 | [
"N",
"Fe"
] | [
26,
7
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 2.564582109451294,
"b": 2.564582109451294,
"c": 2.564582109451294,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | FeN | hard_negative | false | null | 0 | 0.866389 | 0.552644 | true | [
"metallic"
] | null |
mp-1009127 | [
"O",
"Mg"
] | [
12,
8
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 2.661370038986206,
"b": 2.661370038986206,
"c": 2.661370038986206,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | MgO | general_inorganic | false | null | 2.2579 | 0.748438 | -2.289871 | false | [
"oxide"
] | null |
mp-1009128 | [
"N",
"Mn"
] | [
25,
7
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 2.5306990146636963,
"b": 2.5306990146636963,
"c": 2.5306990146636963,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | MnN | hard_negative | false | null | 0 | 0.722964 | 0.396352 | true | [
"metallic"
] | null |
mp-1009133 | [
"Mn",
"Co"
] | [
25,
27
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 2.853600025177002,
"b": 2.853600025177002,
"c": 2.853600025177002,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | MnCo | hard_negative | false | null | 0 | 0 | -0.013308 | true | [
"metallic"
] | null |
mp-1009206 | [
"Mn",
"Sn"
] | [
25,
50
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.434117078781128,
"b": 3.434117078781128,
"c": 3.434117078781128,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | MnSn | hard_negative | false | null | 0 | 0.132235 | 0.132235 | true | [
"metallic"
] | null |
mp-1009207 | [
"Mn",
"Sb"
] | [
25,
51
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.366446018218994,
"b": 3.366446018218994,
"c": 3.366446018218994,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | MnSb | hard_negative | false | null | 0 | 0.329183 | 0.025595 | true | [
"metallic"
] | null |
mp-1009220 | [
"H",
"Na"
] | [
11,
1
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 2.9551239013671875,
"b": 2.9551239013671875,
"c": 2.9551239013671875,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | NaH | general_inorganic | false | null | 1.033 | 0.157427 | -0.135476 | false | null | null |
mp-1009237 | [
"N",
"Nd"
] | [
60,
7
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.1294689178466797,
"b": 3.1294689178466797,
"c": 3.1294689178466797,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | NdN | hard_negative | false | null | 0 | 0.781524 | -0.851177 | true | [
"metallic"
] | null |
mp-1009264 | [
"Co",
"Nb"
] | [
41,
27
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.0820300579071045,
"b": 3.0820300579071045,
"c": 3.0820300579071045,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | NbCo | hard_negative | false | null | 0 | 0.133433 | -0.025045 | true | [
"metallic"
] | null |
mp-1009459 | [
"C",
"Nb"
] | [
41,
6
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 2.8064329624176025,
"b": 2.8064329624176025,
"c": 2.8064329624176025,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | NbC | hard_negative | false | null | 0 | 0.958871 | 0.393227 | true | [
"metallic"
] | null |
mp-1009471 | [
"N",
"Nb"
] | [
41,
7
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 2.7592899799346924,
"b": 2.7592899799346924,
"c": 2.7592899799346924,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | NbN | hard_negative | false | null | 0 | 0.640372 | -0.60642 | true | [
"metallic"
] | null |
mp-1009483 | [
"N",
"Ni"
] | [
28,
7
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 2.5377109050750732,
"b": 2.5377109050750732,
"c": 2.5377109050750732,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | NiN | hard_negative | false | null | 0 | 0.970173 | 0.970173 | true | [
"metallic"
] | null |
mp-1009485 | [
"N",
"Cr"
] | [
24,
7
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 2.521433115005493,
"b": 2.521433115005493,
"c": 2.521433115005493,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | CrN | hard_negative | false | null | 0 | 0.678804 | -0.070383 | true | [
"metallic"
] | null |
mp-1009493 | [
"N",
"Np"
] | [
93,
7
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 2.9947168827056885,
"b": 2.9947168827056885,
"c": 2.9947168827056885,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | NpN | hard_negative | false | null | 0 | 0.634178 | -0.99438 | true | [
"metallic"
] | null |
mp-1009537 | [
"C",
"Os"
] | [
76,
6
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 2.697561025619507,
"b": 2.697561025619507,
"c": 2.697561025619507,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | OsC | hard_negative | false | null | 0 | 1.479516 | 1.479516 | true | [
"metallic"
] | null |
mp-1009596 | [
"N",
"Pd"
] | [
46,
7
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 2.77833890914917,
"b": 2.77833890914917,
"c": 2.77833890914917,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | PdN | hard_negative | false | null | 0 | 1.334285 | 1.334285 | true | [
"metallic"
] | null |
mp-1009640 | [
"N",
"Pr"
] | [
59,
7
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.1608428955078125,
"b": 3.1608428955078125,
"c": 3.1608428955078125,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | PrN | hard_negative | false | null | 0 | 0.760048 | -0.785746 | true | [
"metallic"
] | null |
mp-1009731 | [
"C",
"Re"
] | [
75,
6
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 2.700654983520508,
"b": 2.700654983520508,
"c": 2.700654983520508,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | ReC | hard_negative | false | null | 0 | 1.114993 | 1.074985 | true | [
"metallic"
] | null |
mp-1009748 | [
"C",
"Sc"
] | [
21,
6
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 2.8790769577026367,
"b": 2.8790769577026367,
"c": 2.8790769577026367,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | ScC | hard_negative | false | null | 0 | 0.839815 | 0.256917 | true | [
"metallic"
] | null |
mp-1009819 | [
"O",
"Sr"
] | [
38,
8
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.1417040824890137,
"b": 3.1417040824890137,
"c": 3.1417040824890137,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | SrO | general_inorganic | false | null | 2.7426 | 0.415379 | -2.660245 | false | [
"oxide"
] | null |
mp-1009826 | [
"Co",
"Ta"
] | [
73,
27
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.068398952484131,
"b": 3.068398952484131,
"c": 3.068398952484131,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | TaCo | hard_negative | false | null | 0 | 0.135136 | -0.101807 | true | [
"metallic"
] | null |
mp-1009831 | [
"N",
"Ta"
] | [
73,
7
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 2.754331111907959,
"b": 2.754331111907959,
"c": 2.754331111907959,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | TaN | hard_negative | false | null | 0 | 0.81628 | -0.542426 | true | [
"metallic"
] | null |
mp-1009835 | [
"C",
"Ta"
] | [
73,
6
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 2.7972469329833984,
"b": 2.7972469329833984,
"c": 2.7972469329833984,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | TaC | hard_negative | false | null | 0 | 1.032564 | 0.373104 | true | [
"metallic"
] | null |
mp-1009836 | [
"N",
"Zr"
] | [
40,
7
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 2.8537909984588623,
"b": 2.8537909984588623,
"c": 2.8537909984588623,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | ZrN | hard_negative | false | null | 0 | 0.885764 | -1.089743 | true | [
"metallic"
] | null |
mp-1009839 | [
"Al",
"Tb"
] | [
65,
13
] | 2 | 2 | [
[
0.5,
0.5,
0.5
],
[
0,
0,
0
]
] | {
"a": 3.601771116256714,
"b": 3.601771116256714,
"c": 3.601771116256714,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | TbAl | hard_negative | false | null | 0 | 0.041335 | -0.444238 | true | [
"metallic"
] | null |
mp-1009878 | [
"C",
"Zr"
] | [
40,
6
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 2.934767961502075,
"b": 2.934767961502075,
"c": 2.934767961502075,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | ZrC | hard_negative | false | null | 0 | 1.219417 | 0.205764 | true | [
"metallic"
] | null |
mp-1010071 | [
"Cr",
"Co"
] | [
24,
27
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 2.8512051105499268,
"b": 2.8512051105499268,
"c": 2.8512051105499268,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | CrCo | hard_negative | false | null | 0 | 0.153561 | 0.153561 | true | [
"metallic"
] | null |
mp-1010161 | [
"As",
"Dy"
] | [
66,
33
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.5765058994293213,
"b": 3.5765058994293213,
"c": 3.5765058994293213,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | DyAs | hard_negative | false | null | 0 | 0.476293 | -1.334286 | true | [
"metallic"
] | null |
mp-1010953 | [
"Mg",
"Ni"
] | [
12,
28
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.0078210830688477,
"b": 3.0078210830688477,
"c": 3.0078210830688477,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | MgNi | hard_negative | false | null | 0 | 0.044288 | -0.13747 | true | [
"metallic"
] | null |
mp-10110 | [
"Si",
"Rh"
] | [
14,
45
] | 2 | 2 | [
[
0.5,
0.5,
0.5
],
[
0,
0,
0
]
] | {
"a": 2.9830079078674316,
"b": 2.9830079078674316,
"c": 2.9830079078674316,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | SiRh | hard_negative | false | null | 0 | 0.284019 | -0.55685 | true | [
"metallic"
] | null |
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