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-21765 | [
"Se",
"Pd"
] | [
46,
46,
46,
46,
46,
46,
46,
46,
46,
46,
46,
46,
46,
46,
46,
46,
46,
46,
46,
46,
46,
46,
46,
46,
46,
46,
46,
46,
46,
46,
46,
46,
46,
46,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
34,
... | 64 | 2 | [
[
0.14835813641548157,
0.851641833782196,
0.6503249406814575
],
[
0.5,
0.5,
0
],
[
0,
0.5,
0.5
],
[
0,
0,
0
],
[
0.7403639554977417,
0.5,
0.5
],
[
0.5,
0.7403639554977417,
0.5
],
[
0.5,
0.2596360445022583,
0.... | {
"a": 10.699472427368164,
"b": 10.699472427368164,
"c": 10.699472427368164,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Pd17Se15 | hard_negative | false | null | 0 | 0 | -0.374925 | true | [
"metallic"
] | null |
mp-2179 | [
"Ti",
"Re"
] | [
22,
75
] | 2 | 2 | [
[
0.5,
0.5,
0.5
],
[
0,
0,
0
]
] | {
"a": 3.1080808639526367,
"b": 3.1080808639526367,
"c": 3.1080808639526367,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | TiRe | hard_negative | false | null | 0 | 0 | -0.448716 | true | [
"metallic"
] | null |
mp-21844 | [
"Tl",
"U"
] | [
92,
81,
81,
81
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
]
] | {
"a": 4.763455867767334,
"b": 4.763455867767334,
"c": 4.763455867767334,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | UTl3 | hard_negative | false | null | 0 | 0.212406 | 0.212406 | true | [
"metallic"
] | null |
mp-21845 | [
"Fe",
"Pd"
] | [
26,
46,
46,
46
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
]
] | {
"a": 3.86458420753479,
"b": 3.86458420753479,
"c": 3.86458420753479,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | FePd3 | hard_negative | false | null | 0 | 0 | -0.108251 | true | [
"metallic"
] | null |
mp-2195 | [
"Mg",
"Lu"
] | [
71,
12
] | 2 | 2 | [
[
0.5,
0.5,
0.5
],
[
0,
0,
0
]
] | {
"a": 3.7155098915100098,
"b": 3.7155098915100098,
"c": 3.7155098915100098,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | LuMg | hard_negative | false | null | 0 | 0 | -0.030599 | true | [
"metallic"
] | null |
mp-2197 | [
"Ba",
"Hg"
] | [
56,
80
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 4.178760051727295,
"b": 4.178760051727295,
"c": 4.178760051727295,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | BaHg | hard_negative | false | null | 0 | 0 | -0.530035 | true | [
"metallic"
] | null |
mp-21991 | [
"S",
"Rh"
] | [
45,
45,
45,
45,
45,
45,
45,
45,
45,
45,
45,
45,
45,
45,
45,
45,
45,
45,
45,
45,
45,
45,
45,
45,
45,
45,
45,
45,
45,
45,
45,
45,
45,
45,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
16,
... | 64 | 2 | [
[
0.35700419545173645,
0.35700419545173645,
0.14239449799060822
],
[
0.35700419545173645,
0.857605516910553,
0.35700419545173645
],
[
0.35700419545173645,
0.14239449799060822,
0.6429957747459412
],
[
0.14239449799060822,
0.35700419545173645,
0.642995774745... | {
"a": 9.945863723754883,
"b": 9.945863723754883,
"c": 9.945863723754883,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Rh17S15 | hard_negative | false | null | 0 | 0 | -0.541647 | true | [
"sulfide",
"metallic"
] | null |
mp-2203 | [
"B",
"Y"
] | [
39,
5,
5,
5,
5,
5,
5
] | 7 | 2 | [
[
0,
0,
0
],
[
0.8011341094970703,
0.5,
0.5
],
[
0.1988658756017685,
0.5,
0.5
],
[
0.5,
0.5,
0.8011341094970703
],
[
0.5,
0.5,
0.1988658756017685
],
[
0.5,
0.1988658756017685,
0.5
],
[
0.5,
0.8011341094970703,
... | {
"a": 4.089767932891846,
"b": 4.089767932891846,
"c": 4.089767932891846,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | YB6 | hard_negative | false | null | 0 | 0.011404 | -0.462354 | true | [
"metallic"
] | null |
mp-2205 | [
"Pd",
"Lu"
] | [
71,
46
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.4096271991729736,
"b": 3.4096271991729736,
"c": 3.4096271991729736,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | LuPd | hard_negative | false | null | 0 | 0 | -1.011414 | true | [
"metallic"
] | null |
mp-2210 | [
"Cu",
"Zr"
] | [
40,
29
] | 2 | 2 | [
[
0.5,
0.5,
0.5
],
[
0,
0,
0
]
] | {
"a": 3.25266432762146,
"b": 3.25266432762146,
"c": 3.25266432762146,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | ZrCu | hard_negative | false | null | 0 | 0.042235 | -0.107705 | true | [
"metallic"
] | null |
mp-2212 | [
"Sc",
"Co"
] | [
21,
27
] | 2 | 2 | [
[
0.5,
0.5,
0.5
],
[
0,
0,
0
]
] | {
"a": 3.1422648429870605,
"b": 3.1422648429870605,
"c": 3.1422648429870605,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | ScCo | hard_negative | false | null | 0 | 0 | -0.291255 | true | [
"metallic"
] | null |
mp-2217 | [
"Cd",
"Lu"
] | [
71,
48
] | 2 | 2 | [
[
0.5,
0.5,
0.5
],
[
0,
0,
0
]
] | {
"a": 3.6409900188446045,
"b": 3.6409900188446045,
"c": 3.6409900188446045,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | LuCd | hard_negative | false | null | 0 | 0 | -0.354675 | true | [
"metallic"
] | null |
mp-2222 | [
"Mn",
"Hg"
] | [
25,
80
] | 2 | 2 | [
[
0.5,
0.5,
0.5
],
[
0,
0,
0
]
] | {
"a": 3.331149101257324,
"b": 3.331149101257324,
"c": 3.331149101257324,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | MnHg | hard_negative | false | null | 0 | 0.332728 | 0.332728 | true | [
"metallic"
] | null |
mp-2226 | [
"Pd",
"Dy"
] | [
66,
46
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.4846103191375732,
"b": 3.4846103191375732,
"c": 3.4846103191375732,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | DyPd | hard_negative | false | null | 0 | 0 | -0.928181 | true | [
"metallic"
] | null |
mp-22266 | [
"B",
"Gd"
] | [
64,
5,
5,
5,
5,
5,
5
] | 7 | 2 | [
[
0,
0,
0
],
[
0.19894927740097046,
0.5,
0.5
],
[
0.5,
0.5,
0.8010507225990295
],
[
0.5,
0.5,
0.19894927740097046
],
[
0.5,
0.19894927740097046,
0.5
],
[
0.5,
0.8010507225990295,
0.5
],
[
0.8010507225990295,
0.5,... | {
"a": 4.101428031921387,
"b": 4.101428031921387,
"c": 4.101428031921387,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | GdB6 | hard_negative | false | null | 0 | 0 | -0.489947 | true | [
"metallic"
] | null |
mp-2228 | [
"Mg",
"Er"
] | [
68,
12
] | 2 | 2 | [
[
0.5,
0.5,
0.5
],
[
0,
0,
0
]
] | {
"a": 3.760531187057495,
"b": 3.760531187057495,
"c": 3.760531187057495,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | ErMg | hard_negative | false | null | 0 | 0 | -0.051855 | true | [
"metallic"
] | null |
mp-22320 | [
"Ga",
"Ru"
] | [
31,
44
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.0014383792877197,
"b": 3.0014383792877197,
"c": 3.0014383792877197,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | GaRu | hard_negative | false | null | 0 | 0.000531 | -0.332155 | true | [
"metallic"
] | null |
mp-22461 | [
"Fe",
"Sn"
] | [
26,
26,
26,
50
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0,
0
]
] | {
"a": 3.818521022796631,
"b": 3.818521022796631,
"c": 3.818521022796631,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Fe3Sn | hard_negative | false | null | 0 | 0.085912 | 0.084549 | true | [
"metallic"
] | null |
mp-2249 | [
"Zn",
"Ho"
] | [
67,
30
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.5280985832214355,
"b": 3.5280985832214355,
"c": 3.5280985832214355,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | HoZn | hard_negative | false | null | 0 | 0 | -0.342934 | true | [
"metallic"
] | null |
mp-2258 | [
"Cu",
"Au"
] | [
29,
29,
29,
79
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0,
0
]
] | {
"a": 3.7353875637054443,
"b": 3.7353875637054443,
"c": 3.7353875637054443,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Cu3Au | hard_negative | false | null | 0 | 0 | -0.036564 | true | [
"metallic"
] | null |
mp-2266 | [
"Ag",
"Yb"
] | [
70,
47
] | 2 | 2 | [
[
0.5,
0.5,
0.5
],
[
0,
0,
0
]
] | {
"a": 3.5463857650756836,
"b": 3.5463857650756836,
"c": 3.5463857650756836,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | YbAg | hard_negative | false | null | 0 | 0 | -0.368562 | true | [
"metallic"
] | null |
mp-2268 | [
"Ag",
"Tb"
] | [
65,
47
] | 2 | 2 | [
[
0.5,
0.5,
0.5
],
[
0,
0,
0
]
] | {
"a": 3.6236703395843506,
"b": 3.6236703395843506,
"c": 3.6236703395843506,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | TbAg | hard_negative | false | null | 0 | 0 | -0.303777 | true | [
"metallic"
] | null |
mp-22704 | [
"Y",
"In"
] | [
39,
49
] | 2 | 2 | [
[
0.5,
0.5,
0.5
],
[
0,
0,
0
]
] | {
"a": 3.7594189643859863,
"b": 3.7594189643859863,
"c": 3.7594189643859863,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | YIn | hard_negative | false | null | 0 | 0 | -0.603586 | true | [
"metallic"
] | null |
mp-22746 | [
"Si",
"Co"
] | [
27,
14
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 2.7813339233398438,
"b": 2.7813339233398438,
"c": 2.7813339233398438,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | CoSi | hard_negative | false | null | 0 | 0.201114 | -0.291812 | true | [
"metallic"
] | null |
mp-22784 | [
"Ni",
"In"
] | [
49,
28,
28,
28
] | 4 | 2 | [
[
0,
0,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 3.700451612472534,
"b": 3.700451612472534,
"c": 3.700451612472534,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | InNi3 | hard_negative | false | null | 0 | 0.079346 | -0.027257 | true | [
"metallic"
] | null |
mp-2279 | [
"Sn",
"Pu"
] | [
94,
50,
50,
50
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
]
] | {
"a": 4.587528228759766,
"b": 4.587528228759766,
"c": 4.587528228759766,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | PuSn3 | hard_negative | false | null | 0 | 0.441087 | 0.067409 | true | [
"metallic"
] | null |
mp-2283 | [
"Co",
"Zr"
] | [
40,
27
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.2077839374542236,
"b": 3.2077839374542236,
"c": 3.2077839374542236,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | ZrCo | hard_negative | false | null | 0 | 0 | -0.330463 | true | [
"metallic"
] | null |
mp-22865 | [
"Cl",
"Cs"
] | [
55,
17
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 4.143698215484619,
"b": 4.143698215484619,
"c": 4.143698215484619,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | CsCl | general_inorganic | false | null | 4.9884 | 0 | -2.171597 | false | [
"halide"
] | null |
mp-22875 | [
"Br",
"Tl"
] | [
81,
35
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.999906539916992,
"b": 3.999906539916992,
"c": 3.999906539916992,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | TlBr | general_inorganic | false | null | 1.9877 | 0.00464 | -1.146381 | false | [
"halide"
] | null |
mp-229 | [
"Zr",
"Rh"
] | [
40,
45,
45,
45
] | 4 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
]
] | {
"a": 3.9341065883636475,
"b": 3.9341065883636475,
"c": 3.9341065883636475,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | ZrRh3 | hard_negative | false | null | 0 | 0 | -0.743184 | true | [
"metallic"
] | null |
mp-22901 | [
"K",
"I"
] | [
19,
53
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 4.291196823120117,
"b": 4.291196823120117,
"c": 4.291196823120117,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | KI | general_inorganic | false | null | 3.2404 | 0.060312 | -1.609678 | false | [
"halide"
] | null |
mp-22906 | [
"Br",
"Cs"
] | [
55,
35
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 4.325622081756592,
"b": 4.325622081756592,
"c": 4.325622081756592,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | CsBr | general_inorganic | false | null | 4.2392 | 0 | -2.051713 | false | [
"halide"
] | null |
mp-22915 | [
"Ag",
"I"
] | [
47,
53
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.8550000190734863,
"b": 3.8550000190734863,
"c": 3.8550000190734863,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | AgI | hard_negative | false | null | 0 | 0.392737 | -0.075023 | true | [
"halide",
"metallic"
] | null |
mp-2303 | [
"Zn",
"Dy"
] | [
66,
30
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.545006513595581,
"b": 3.545006513595581,
"c": 3.545006513595581,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | DyZn | hard_negative | false | null | 0 | 0 | -0.389539 | true | [
"metallic"
] | null |
mp-2311 | [
"O",
"Nb"
] | [
41,
41,
41,
8,
8,
8
] | 6 | 2 | [
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0.5,
0.5
],
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0,
0
]
] | {
"a": 4.249846458435059,
"b": 4.249846458435059,
"c": 4.249846458435059,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | NbO | hard_negative | false | null | 0 | 0 | -2.287661 | true | [
"oxide",
"metallic"
] | null |
mp-2314 | [
"Li",
"Pb"
] | [
3,
82
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.5262610912323,
"b": 3.5262610912323,
"c": 3.5262610912323,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | LiPb | hard_negative | true | 1 | 0 | 0 | -0.271879 | true | [
"li",
"metallic"
] | null |
mp-23159 | [
"Sr",
"Bi"
] | [
38,
83,
83,
83
] | 4 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
]
] | {
"a": 5.052218914031982,
"b": 5.052218914031982,
"c": 5.052218914031982,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | SrBi3 | hard_negative | false | null | 0 | 0.051394 | -0.456323 | true | [
"metallic"
] | null |
mp-2316 | [
"Zn",
"Tm"
] | [
69,
30
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.4937338829040527,
"b": 3.4937338829040527,
"c": 3.4937338829040527,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | TmZn | hard_negative | false | null | 0 | 0 | -0.404734 | true | [
"metallic"
] | null |
mp-23167 | [
"Cl",
"Tl"
] | [
81,
17
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.8374674320220947,
"b": 3.8374674320220947,
"c": 3.8374674320220947,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | TlCl | general_inorganic | false | null | 2.1732 | 0.001307 | -1.324511 | false | [
"halide"
] | null |
mp-232 | [
"Rh",
"Dy"
] | [
66,
45
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.402766227722168,
"b": 3.402766227722168,
"c": 3.402766227722168,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | DyRh | hard_negative | false | null | 0 | 0 | -0.878626 | true | [
"metallic"
] | null |
mp-23201 | [
"Ba",
"Bi"
] | [
56,
83,
83,
83
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 5.152431488037109,
"b": 5.152431488037109,
"c": 5.152431488037109,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | BaBi3 | hard_negative | false | null | 0 | 0.017993 | -0.460835 | true | [
"metallic"
] | null |
mp-2323 | [
"Be",
"Cu"
] | [
4,
29
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 2.6724679470062256,
"b": 2.6724679470062256,
"c": 2.6724679470062256,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | BeCu | hard_negative | false | null | 0 | 0.005036 | -0.100244 | true | [
"metallic"
] | null |
mp-23289 | [
"Cl",
"K"
] | [
19,
17
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.839195966720581,
"b": 3.839195966720581,
"c": 3.839195966720581,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | KCl | general_inorganic | false | null | 4.8005 | 0.077644 | -2.097617 | false | [
"halide"
] | null |
mp-23302 | [
"Rb",
"I"
] | [
37,
53
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 4.443358421325684,
"b": 4.443358421325684,
"c": 4.443358421325684,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | RbI | general_inorganic | false | null | 3.3463 | 0.029723 | -1.666128 | false | [
"halide"
] | null |
mp-2333 | [
"Pd",
"Nd"
] | [
60,
46,
46,
46
] | 4 | 2 | [
[
0,
0,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 4.169795989990234,
"b": 4.169795989990234,
"c": 4.169795989990234,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | NdPd3 | hard_negative | false | null | 0 | 0 | -0.790976 | true | [
"metallic"
] | null |
mp-2334 | [
"Cu",
"Dy"
] | [
66,
29
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.43607759475708,
"b": 3.43607759475708,
"c": 3.43607759475708,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | DyCu | hard_negative | false | null | 0 | 0 | -0.265872 | true | [
"metallic"
] | null |
mp-2351 | [
"Tm",
"Pt"
] | [
69,
78,
78,
78
] | 4 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
]
] | {
"a": 4.063748359680176,
"b": 4.063748359680176,
"c": 4.063748359680176,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | TmPt3 | hard_negative | false | null | 0 | 0 | -1.161889 | true | [
"metallic"
] | null |
mp-2375 | [
"Pd",
"Np"
] | [
93,
46,
46,
46
] | 4 | 2 | [
[
0,
0,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 4.140087604522705,
"b": 4.140087604522705,
"c": 4.140087604522705,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | NpPd3 | hard_negative | false | null | 0 | 0.008822 | -0.734781 | true | [
"metallic"
] | null |
mp-2381 | [
"Rh",
"Er"
] | [
68,
45
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.3673770427703857,
"b": 3.3673770427703857,
"c": 3.3673770427703857,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | ErRh | hard_negative | false | null | 0 | 0 | -0.946752 | true | [
"metallic"
] | null |
mp-2391 | [
"Pd",
"Yb"
] | [
70,
46,
46,
46
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
]
] | {
"a": 4.049829006195068,
"b": 4.049829006195068,
"c": 4.049829006195068,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | YbPd3 | hard_negative | false | null | 0 | 0 | -0.965491 | true | [
"metallic"
] | null |
mp-2393 | [
"Y",
"Tl"
] | [
39,
81,
81,
81
] | 4 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
]
] | {
"a": 4.73084020614624,
"b": 4.73084020614624,
"c": 4.73084020614624,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | YTl3 | hard_negative | false | null | 0 | 0 | -0.300891 | true | [
"metallic"
] | null |
mp-2399 | [
"Y",
"Hg"
] | [
39,
80
] | 2 | 2 | [
[
0.5,
0.5,
0.5
],
[
0,
0,
0
]
] | {
"a": 3.70623517036438,
"b": 3.70623517036438,
"c": 3.70623517036438,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | YHg | hard_negative | false | null | 0 | 0 | -0.585944 | true | [
"metallic"
] | null |
mp-2403 | [
"Y",
"Pt"
] | [
39,
78,
78,
78
] | 4 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
]
] | {
"a": 4.100358009338379,
"b": 4.100358009338379,
"c": 4.100358009338379,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | YPt3 | hard_negative | false | null | 0 | 0 | -1.066454 | true | [
"metallic"
] | null |
mp-2413 | [
"Al",
"Ce"
] | [
58,
58,
58,
13
] | 4 | 2 | [
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0,
0,
0
]
] | {
"a": 4.734055042266846,
"b": 4.734055042266846,
"c": 4.734055042266846,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Ce3Al | hard_negative | false | null | 0 | 0 | -0.235437 | true | [
"metallic"
] | null |
mp-2415 | [
"Dy",
"Tl"
] | [
66,
81,
81,
81
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
]
] | {
"a": 4.716955184936523,
"b": 4.716955184936523,
"c": 4.716955184936523,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | DyTl3 | hard_negative | false | null | 0 | 0 | -0.294048 | true | [
"metallic"
] | null |
mp-2417 | [
"Dy",
"Ir"
] | [
66,
77,
77,
77
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
]
] | {
"a": 4.057735919952393,
"b": 4.057735919952393,
"c": 4.057735919952393,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | DyIr3 | hard_negative | false | null | 0 | 0.184225 | -0.43412 | true | [
"metallic"
] | null |
mp-242 | [
"B",
"Sr"
] | [
38,
5,
5,
5,
5,
5,
5
] | 7 | 2 | [
[
0,
0,
0
],
[
0.2031388133764267,
0.5,
0.5
],
[
0.5,
0.5,
0.7968611717224121
],
[
0.5,
0.5,
0.2031388133764267
],
[
0.5,
0.2031388133764267,
0.5
],
[
0.5,
0.7968611717224121,
0.5
],
[
0.7968611717224121,
0.5,
... | {
"a": 4.190206050872803,
"b": 4.190206050872803,
"c": 4.190206050872803,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | SrB6 | hard_negative | false | null | 0 | 0 | -0.519013 | true | [
"metallic"
] | null |
mp-2426 | [
"Li",
"Ag"
] | [
3,
47
] | 2 | 2 | [
[
0.5,
0.5,
0.5
],
[
0,
0,
0
]
] | {
"a": 3.1227402687072754,
"b": 3.1227402687072754,
"c": 3.1227402687072754,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | LiAg | hard_negative | true | 1 | 0 | 0 | -0.180452 | true | [
"li",
"metallic"
] | null |
mp-2431 | [
"Er",
"Tl"
] | [
68,
81,
81,
81
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
]
] | {
"a": 4.701316833496094,
"b": 4.701316833496094,
"c": 4.701316833496094,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | ErTl3 | hard_negative | false | null | 0 | 0 | -0.191785 | true | [
"metallic"
] | null |
mp-2434 | [
"Sr",
"Tl"
] | [
38,
81
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 4.06285285949707,
"b": 4.06285285949707,
"c": 4.06285285949707,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | SrTl | hard_negative | false | null | 0 | 0 | -0.494066 | true | [
"metallic"
] | null |
mp-2442 | [
"Er",
"Au"
] | [
68,
79
] | 2 | 2 | [
[
0.5,
0.5,
0.5
],
[
0,
0,
0
]
] | {
"a": 3.5385382175445557,
"b": 3.5385382175445557,
"c": 3.5385382175445557,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | ErAu | hard_negative | false | null | 0 | 0.032483 | -0.963642 | true | [
"metallic"
] | null |
mp-2443 | [
"Dy",
"Hg"
] | [
66,
80
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.6932055950164795,
"b": 3.6932055950164795,
"c": 3.6932055950164795,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | DyHg | hard_negative | false | null | 0 | 0 | -0.578036 | true | [
"metallic"
] | null |
mp-2444 | [
"Ga",
"Rh"
] | [
31,
45
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.0061864852905273,
"b": 3.0061864852905273,
"c": 3.0061864852905273,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | GaRh | hard_negative | false | null | 0 | 0 | -0.67996 | true | [
"metallic"
] | null |
mp-2449 | [
"Nb",
"Rh"
] | [
41,
45,
45,
45
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
]
] | {
"a": 3.8789315223693848,
"b": 3.8789315223693848,
"c": 3.8789315223693848,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | NbRh3 | hard_negative | false | null | 0 | 0.008915 | -0.499449 | true | [
"metallic"
] | null |
mp-2459 | [
"In",
"Yb"
] | [
70,
49
] | 2 | 2 | [
[
0.5,
0.5,
0.5
],
[
0,
0,
0
]
] | {
"a": 3.6882874965667725,
"b": 3.6882874965667725,
"c": 3.6882874965667725,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | YbIn | hard_negative | false | null | 0 | 0 | -0.530547 | true | [
"metallic"
] | null |
mp-246 | [
"F",
"Ti"
] | [
22,
9,
9,
9
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0,
0
]
] | {
"a": 3.919778347015381,
"b": 3.919778347015381,
"c": 3.919778347015381,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | TiF3 | hard_negative | false | null | 0 | 0 | -3.669544 | true | [
"halide",
"metallic"
] | null |
mp-2465 | [
"Dy",
"Pt"
] | [
66,
78,
78,
78
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
]
] | {
"a": 4.09425163269043,
"b": 4.09425163269043,
"c": 4.09425163269043,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | DyPt3 | hard_negative | false | null | 0 | 0 | -1.109664 | true | [
"metallic"
] | null |
mp-2468 | [
"Er",
"Hg"
] | [
68,
80
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.659803628921509,
"b": 3.659803628921509,
"c": 3.659803628921509,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | ErHg | hard_negative | false | null | 0 | 0 | -0.563748 | true | [
"metallic"
] | null |
mp-2474 | [
"Y",
"Ag"
] | [
39,
47
] | 2 | 2 | [
[
0.5,
0.5,
0.5
],
[
0,
0,
0
]
] | {
"a": 3.6250505447387695,
"b": 3.6250505447387695,
"c": 3.6250505447387695,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | YAg | hard_negative | false | null | 0 | 0 | -0.327412 | true | [
"metallic"
] | null |
mp-2475 | [
"Ag",
"Sm"
] | [
62,
47
] | 2 | 2 | [
[
0.5,
0.5,
0.5
],
[
0,
0,
0
]
] | {
"a": 3.6857128143310547,
"b": 3.6857128143310547,
"c": 3.6857128143310547,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | SmAg | hard_negative | false | null | 0 | 0 | -0.302442 | true | [
"metallic"
] | null |
mp-2484 | [
"Sn",
"Sm"
] | [
62,
50,
50,
50
] | 4 | 2 | [
[
0,
0,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 4.733457088470459,
"b": 4.733457088470459,
"c": 4.733457088470459,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | SmSn3 | hard_negative | false | null | 0 | 0 | -0.460604 | true | [
"metallic"
] | null |
mp-2497 | [
"Zn",
"Gd"
] | [
64,
30
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.583850383758545,
"b": 3.583850383758545,
"c": 3.583850383758545,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | GdZn | hard_negative | false | null | 0 | 0 | -0.344962 | true | [
"metallic"
] | null |
mp-2502 | [
"Cd",
"Tm"
] | [
69,
48
] | 2 | 2 | [
[
0.5,
0.5,
0.5
],
[
0,
0,
0
]
] | {
"a": 3.672882318496704,
"b": 3.672882318496704,
"c": 3.672882318496704,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | TmCd | hard_negative | false | null | 0 | 0 | -0.291594 | true | [
"metallic"
] | null |
mp-2509 | [
"Rh",
"Th"
] | [
90,
45,
45,
45
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
]
] | {
"a": 4.108888626098633,
"b": 4.108888626098633,
"c": 4.108888626098633,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | ThRh3 | hard_negative | false | null | 0 | 0 | -0.733109 | true | [
"metallic"
] | null |
mp-2515 | [
"Cr",
"Pt"
] | [
24,
78,
78,
78
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
]
] | {
"a": 3.8959522247314453,
"b": 3.8959522247314453,
"c": 3.8959522247314453,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | CrPt3 | hard_negative | false | null | 0 | 0 | -0.342669 | true | [
"metallic"
] | null |
mp-2516 | [
"Zn",
"Y"
] | [
39,
30
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.562366485595703,
"b": 3.562366485595703,
"c": 3.562366485595703,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | YZn | hard_negative | false | null | 0 | 0 | -0.387158 | true | [
"metallic"
] | null |
mp-2522 | [
"Lu",
"Hg"
] | [
71,
80
] | 2 | 2 | [
[
0.5,
0.5,
0.5
],
[
0,
0,
0
]
] | {
"a": 3.610029697418213,
"b": 3.610029697418213,
"c": 3.610029697418213,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | LuHg | hard_negative | false | null | 0 | 0 | -0.548105 | true | [
"metallic"
] | null |
mp-2523 | [
"Pt",
"Pu"
] | [
94,
78,
78,
78
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
]
] | {
"a": 4.100996971130371,
"b": 4.100996971130371,
"c": 4.100996971130371,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | PuPt3 | hard_negative | false | null | 0 | 0 | -0.598128 | true | [
"metallic"
] | null |
mp-2525 | [
"Ag",
"Pr"
] | [
59,
47
] | 2 | 2 | [
[
0.5,
0.5,
0.5
],
[
0,
0,
0
]
] | {
"a": 3.7632064819335938,
"b": 3.7632064819335938,
"c": 3.7632064819335938,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | PrAg | hard_negative | false | null | 0 | 0 | -0.231795 | true | [
"metallic"
] | null |
mp-2540 | [
"V",
"Tc"
] | [
23,
43
] | 2 | 2 | [
[
0.5,
0.5,
0.5
],
[
0,
0,
0
]
] | {
"a": 3.0091185569763184,
"b": 3.0091185569763184,
"c": 3.0091185569763184,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | VTc | hard_negative | false | null | 0 | 0 | -0.438496 | true | [
"metallic"
] | null |
mp-2545 | [
"Yb",
"Hg"
] | [
70,
80
] | 2 | 2 | [
[
0.5,
0.5,
0.5
],
[
0,
0,
0
]
] | {
"a": 3.626258373260498,
"b": 3.626258373260498,
"c": 3.626258373260498,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | YbHg | hard_negative | false | null | 0 | 0 | -0.573664 | true | [
"metallic"
] | null |
mp-2547 | [
"Pd",
"Yb"
] | [
70,
46
] | 2 | 2 | [
[
0.5,
0.5,
0.5
],
[
0,
0,
0
]
] | {
"a": 3.424384593963623,
"b": 3.424384593963623,
"c": 3.424384593963623,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | YbPd | hard_negative | false | null | 0 | 0.010346 | -1.002641 | true | [
"metallic"
] | null |
mp-2558 | [
"Mg",
"Sm"
] | [
62,
12
] | 2 | 2 | [
[
0.5,
0.5,
0.5
],
[
0,
0,
0
]
] | {
"a": 3.852630138397217,
"b": 3.852630138397217,
"c": 3.852630138397217,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | SmMg | hard_negative | false | null | 0 | 0 | -0.08452 | true | [
"metallic"
] | null |
mp-2560 | [
"Ti",
"Hg"
] | [
22,
22,
22,
80
] | 4 | 2 | [
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.139948844909668,
"b": 4.139948844909668,
"c": 4.139948844909668,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Ti3Hg | hard_negative | false | null | 0 | 0.070988 | -0.057675 | true | [
"metallic"
] | null |
mp-2564 | [
"Mg",
"Sr"
] | [
38,
12
] | 2 | 2 | [
[
0.5,
0.5,
0.5
],
[
0,
0,
0
]
] | {
"a": 4.1903181076049805,
"b": 4.1903181076049805,
"c": 4.1903181076049805,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | SrMg | hard_negative | false | null | 0 | 0.046759 | -0.020862 | true | [
"metallic"
] | null |
mp-257 | [
"In",
"Dy"
] | [
66,
49
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.7428462505340576,
"b": 3.7428462505340576,
"c": 3.7428462505340576,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | DyIn | hard_negative | false | null | 0 | 0 | -0.593455 | true | [
"metallic"
] | null |
mp-2573 | [
"Al",
"Np"
] | [
93,
13,
13,
13
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
]
] | {
"a": 4.241462707519531,
"b": 4.241462707519531,
"c": 4.241462707519531,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | NpAl3 | hard_negative | false | null | 0 | 0.055517 | -0.302634 | true | [
"metallic"
] | null |
mp-2577 | [
"Mn",
"Rh"
] | [
25,
25,
25,
45
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0,
0
]
] | {
"a": 3.605592966079712,
"b": 3.605592966079712,
"c": 3.605592966079712,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Mn3Rh | hard_negative | false | null | 0 | 0.152467 | -0.095414 | true | [
"metallic"
] | null |
mp-2593 | [
"Al",
"Ni"
] | [
13,
28,
28,
28
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 3.523054838180542,
"b": 3.523054838180542,
"c": 3.523054838180542,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | AlNi3 | hard_negative | false | null | 0 | 0 | -0.42642 | true | [
"metallic"
] | null |
mp-2607 | [
"Ge",
"U"
] | [
92,
32,
32,
32
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
]
] | {
"a": 4.2171759605407715,
"b": 4.2171759605407715,
"c": 4.2171759605407715,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | UGe3 | hard_negative | false | null | 0 | 0 | -0.300723 | true | [
"metallic"
] | null |
mp-2615 | [
"Zn",
"La"
] | [
57,
30
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.7562224864959717,
"b": 3.7562224864959717,
"c": 3.7562224864959717,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | LaZn | hard_negative | false | null | 0 | 0 | -0.325346 | true | [
"metallic"
] | null |
mp-2621 | [
"Ag",
"Er"
] | [
68,
47
] | 2 | 2 | [
[
0.5,
0.5,
0.5
],
[
0,
0,
0
]
] | {
"a": 3.5739805698394775,
"b": 3.5739805698394775,
"c": 3.5739805698394775,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | ErAg | hard_negative | false | null | 0 | 0 | -0.341188 | true | [
"metallic"
] | null |
mp-2630414 | [
"O",
"Ta"
] | [
73,
8,
8,
8
] | 4 | 2 | [
[
0.5,
0.5,
0.5
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
]
] | {
"a": 3.9603443145751953,
"b": 3.9603443145751953,
"c": 3.9603443145751953,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | TaO3 | hard_negative | false | null | 0 | 0.146295 | -2.781948 | true | [
"oxide",
"metallic"
] | null |
mp-2636 | [
"Mg",
"Gd"
] | [
64,
12
] | 2 | 2 | [
[
0.5,
0.5,
0.5
],
[
0,
0,
0
]
] | {
"a": 3.8306357860565186,
"b": 3.8306357860565186,
"c": 3.8306357860565186,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | GdMg | hard_negative | false | null | 0 | 0 | -0.078808 | true | [
"metallic"
] | null |
mp-2639 | [
"N",
"Na"
] | [
11,
11,
11,
7
] | 4 | 2 | [
[
0.5,
0,
0
],
[
0,
0,
0.5
],
[
0,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.745957851409912,
"b": 4.745957851409912,
"c": 4.745957851409912,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Na3N | hard_negative | false | null | 0 | 0.182231 | 0.126576 | true | [
"metallic"
] | null |
mp-2642 | [
"Ag",
"Cd"
] | [
48,
47
] | 2 | 2 | [
[
0.5,
0.5,
0.5
],
[
0,
0,
0
]
] | {
"a": 3.3527164459228516,
"b": 3.3527164459228516,
"c": 3.3527164459228516,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | CdAg | hard_negative | false | null | 0 | 0 | -0.053041 | true | [
"metallic"
] | null |
mp-265 | [
"Ta",
"Ir"
] | [
73,
77,
77,
77
] | 4 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
]
] | {
"a": 3.905308246612549,
"b": 3.905308246612549,
"c": 3.905308246612549,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | TaIr3 | hard_negative | false | null | 0 | 0 | -0.757642 | true | [
"metallic"
] | null |
mp-2658 | [
"Al",
"Fe"
] | [
13,
26
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 2.845505952835083,
"b": 2.845505952835083,
"c": 2.845505952835083,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | AlFe | hard_negative | false | null | 0 | 0 | -0.326887 | true | [
"metallic"
] | null |
mp-2667 | [
"Cs",
"Au"
] | [
55,
79
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 4.2828545570373535,
"b": 4.2828545570373535,
"c": 4.2828545570373535,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | CsAu | general_inorganic | false | null | 1.0233 | 0 | -0.360559 | false | null | null |
mp-2672345 | [
"Mg",
"Cu"
] | [
12,
29
] | 2 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.1556813716888428,
"b": 3.1556813716888428,
"c": 3.1556813716888428,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | MgCu | hard_negative | false | null | 0 | 0.030953 | -0.074831 | true | [
"metallic"
] | null |
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