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-1183480 | [
"Ca",
"Lu"
] | [
20,
20,
20,
71
] | 4 | 2 | [
[
0.5,
0,
0
],
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
]
] | {
"a": 5.361774921417236,
"b": 5.361774921417236,
"c": 5.361774921417236,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Ca3Lu | hard_negative | false | null | 0 | 0.151888 | 0.151888 | true | [
"metallic"
] | null |
mp-1183489 | [
"Ca",
"Sn"
] | [
20,
20,
20,
50
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 5.002689361572266,
"b": 5.002689361572266,
"c": 5.002689361572266,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Ca3Sn | hard_negative | false | null | 0 | 0.047424 | -0.438042 | true | [
"metallic"
] | null |
mp-1183498 | [
"Ca",
"Ho"
] | [
20,
20,
20,
67
] | 4 | 2 | [
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0.5,
0.5
],
[
0,
0,
0
]
] | {
"a": 5.346147060394287,
"b": 5.346147060394287,
"c": 5.346147060394287,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Ca3Ho | hard_negative | false | null | 0 | 0.152165 | 0.152165 | true | [
"metallic"
] | null |
mp-1183501 | [
"Ca",
"Cd"
] | [
20,
20,
20,
48
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 5.1585845947265625,
"b": 5.1585845947265625,
"c": 5.1585845947265625,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Ca3Cd | hard_negative | false | null | 0 | 0.056828 | -0.114104 | true | [
"metallic"
] | null |
mp-1183514 | [
"Ca",
"Y"
] | [
20,
20,
20,
39
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 5.412806987762451,
"b": 5.412806987762451,
"c": 5.412806987762451,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Ca3Y | hard_negative | false | null | 0 | 0.131233 | 0.131233 | true | [
"metallic"
] | null |
mp-1183549 | [
"Ca",
"Tb"
] | [
20,
65,
65,
65
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 5.109847068786621,
"b": 5.109847068786621,
"c": 5.109847068786621,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | CaTb3 | hard_negative | false | null | 0 | 0.128915 | 0.128915 | true | [
"metallic"
] | null |
mp-1183558 | [
"Ca",
"Yb"
] | [
20,
70,
70,
70
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 5.0716400146484375,
"b": 5.0716400146484375,
"c": 5.0716400146484375,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | CaYb3 | hard_negative | false | null | 0 | 0.173462 | 0.173462 | true | [
"metallic"
] | null |
mp-1183621 | [
"Pd",
"Cd"
] | [
48,
48,
48,
46
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.208478927612305,
"b": 4.208478927612305,
"c": 4.208478927612305,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Cd3Pd | hard_negative | false | null | 0 | 0.024673 | -0.186669 | true | [
"metallic"
] | null |
mp-1183622 | [
"C",
"Cd"
] | [
48,
48,
48,
6
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.172056198120117,
"b": 4.172056198120117,
"c": 4.172056198120117,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Cd3C | hard_negative | false | null | 0 | 1.220068 | 1.220068 | true | [
"metallic"
] | null |
mp-1183623 | [
"Cu",
"Cd"
] | [
48,
29,
29,
29
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 3.8257009983062744,
"b": 3.8257009983062744,
"c": 3.8257009983062744,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | CdCu3 | hard_negative | false | null | 0 | 0.080077 | 0.080077 | true | [
"metallic"
] | null |
mp-1183624 | [
"Ni",
"Cd"
] | [
48,
48,
48,
28
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.180107116699219,
"b": 4.180107116699219,
"c": 4.180107116699219,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Cd3Ni | hard_negative | false | null | 0 | 0.091076 | 0.090913 | true | [
"metallic"
] | null |
mp-1183626 | [
"Cd",
"Ir"
] | [
48,
48,
48,
77
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.21670389175415,
"b": 4.21670389175415,
"c": 4.21670389175415,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Cd3Ir | hard_negative | false | null | 0 | 0.143471 | 0.0547 | true | [
"metallic"
] | null |
mp-1183627 | [
"Ag",
"Cd"
] | [
48,
47,
47,
47
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 4.159419059753418,
"b": 4.159419059753418,
"c": 4.159419059753418,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | CdAg3 | hard_negative | false | null | 0 | 0.007373 | -0.038884 | true | [
"metallic"
] | null |
mp-1183629 | [
"Cd",
"Bi"
] | [
48,
83,
83,
83
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 4.953345775604248,
"b": 4.953345775604248,
"c": 4.953345775604248,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | CdBi3 | hard_negative | false | null | 0 | 0.12565 | 0.12565 | true | [
"metallic"
] | null |
mp-1183632 | [
"P",
"Cd"
] | [
48,
48,
48,
15
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.393791198730469,
"b": 4.393791198730469,
"c": 4.393791198730469,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Cd3P | hard_negative | false | null | 0 | 0.266882 | 0.189896 | true | [
"metallic"
] | null |
mp-1183636 | [
"Ca",
"Eu"
] | [
20,
20,
20,
63
] | 4 | 2 | [
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 5.630794048309326,
"b": 5.630794048309326,
"c": 5.630794048309326,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Ca3Eu | hard_negative | false | null | 0 | 0.031312 | 0.031312 | true | [
"metallic"
] | null |
mp-1183655 | [
"Pd",
"Cd"
] | [
48,
46,
46,
46
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 3.9969727993011475,
"b": 3.9969727993011475,
"c": 3.9969727993011475,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | CdPd3 | hard_negative | false | null | 0 | 0.02571 | -0.233595 | true | [
"metallic"
] | null |
mp-1183678 | [
"H",
"Co"
] | [
27,
1,
1,
1
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 2.611335039138794,
"b": 2.611335039138794,
"c": 2.611335039138794,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | CoH3 | hard_negative | false | null | 0 | 0.153299 | 0.127328 | true | [
"metallic"
] | null |
mp-1183679 | [
"H",
"Cr"
] | [
24,
1,
1,
1
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 2.7636868953704834,
"b": 2.7636868953704834,
"c": 2.7636868953704834,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | CrH3 | hard_negative | false | null | 0 | 0.123355 | 0.123355 | true | [
"metallic"
] | null |
mp-1183680 | [
"Co",
"W"
] | [
27,
74,
74,
74
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 3.907351016998291,
"b": 3.907351016998291,
"c": 3.907351016998291,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | CoW3 | hard_negative | false | null | 0 | 0.285036 | 0.285036 | true | [
"metallic"
] | null |
mp-1183684 | [
"Co",
"Se"
] | [
27,
27,
27,
34
] | 4 | 2 | [
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 3.566622018814087,
"b": 3.566622018814087,
"c": 3.566622018814087,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Co3Se | hard_negative | false | null | 0 | 0.404886 | 0.251843 | true | [
"metallic"
] | null |
mp-1183687 | [
"Co",
"Pd"
] | [
27,
46,
46,
46
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 3.850374937057495,
"b": 3.850374937057495,
"c": 3.850374937057495,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | CoPd3 | hard_negative | false | null | 0 | 0.001641 | 0.001641 | true | [
"metallic"
] | null |
mp-1183693 | [
"Cr",
"Hg"
] | [
24,
80,
80,
80
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 4.439137935638428,
"b": 4.439137935638428,
"c": 4.439137935638428,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | CrHg3 | hard_negative | false | null | 0 | 0.361507 | 0.361507 | true | [
"metallic"
] | null |
mp-1183698 | [
"Co",
"Ir"
] | [
27,
27,
27,
77
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 3.5825610160827637,
"b": 3.5825610160827637,
"c": 3.5825610160827637,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Co3Ir | hard_negative | false | null | 0 | 0.050854 | 0.050854 | true | [
"metallic"
] | null |
mp-1183703 | [
"Cr",
"Re"
] | [
24,
75,
75,
75
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 3.8635480403900146,
"b": 3.8635480403900146,
"c": 3.8635480403900146,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | CrRe3 | hard_negative | false | null | 0 | 0.1331 | 0.1331 | true | [
"metallic"
] | null |
mp-1183704 | [
"Co",
"Rh"
] | [
27,
45,
45,
45
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 3.7663979530334473,
"b": 3.7663979530334473,
"c": 3.7663979530334473,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | CoRh3 | hard_negative | false | null | 0 | 0.065484 | 0.065484 | true | [
"metallic"
] | null |
mp-1183709 | [
"Ce",
"Pa"
] | [
58,
91,
91,
91
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 4.6491007804870605,
"b": 4.6491007804870605,
"c": 4.6491007804870605,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | CePa3 | hard_negative | false | null | 0 | 0.05818 | 0.05818 | true | [
"metallic"
] | null |
mp-1183711 | [
"Ti",
"Ce"
] | [
58,
58,
58,
22
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.632102012634277,
"b": 4.632102012634277,
"c": 4.632102012634277,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Ce3Ti | hard_negative | false | null | 0 | 0.168561 | 0.168561 | true | [
"metallic"
] | null |
mp-1183729 | [
"As",
"Ce"
] | [
58,
33,
33,
33
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 4.362752914428711,
"b": 4.362752914428711,
"c": 4.362752914428711,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | CeAs3 | hard_negative | false | null | 0 | 0.173839 | -0.706493 | true | [
"metallic"
] | null |
mp-1183732 | [
"Ce",
"Th"
] | [
58,
90,
90,
90
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 4.9891743659973145,
"b": 4.9891743659973145,
"c": 4.9891743659973145,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | CeTh3 | hard_negative | false | null | 0 | 0.017019 | 0.017019 | true | [
"metallic"
] | null |
mp-1183736 | [
"Ce",
"Pr"
] | [
58,
59,
59,
59
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 5.213929176330566,
"b": 5.213929176330566,
"c": 5.213929176330566,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | CePr3 | hard_negative | false | null | 0 | 0.085935 | 0.085935 | true | [
"metallic"
] | null |
mp-1183737 | [
"Ce",
"Dy"
] | [
58,
58,
58,
66
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.863451957702637,
"b": 4.863451957702637,
"c": 4.863451957702637,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Ce3Dy | hard_negative | false | null | 0 | 0.099066 | 0.099066 | true | [
"metallic"
] | null |
mp-1183738 | [
"Sb",
"Ce"
] | [
58,
51,
51,
51
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 4.77358341217041,
"b": 4.77358341217041,
"c": 4.77358341217041,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | CeSb3 | hard_negative | false | null | 0 | 0.130503 | -0.582452 | true | [
"metallic"
] | null |
mp-1183745 | [
"Ce",
"Ho"
] | [
58,
58,
58,
67
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.870365142822266,
"b": 4.870365142822266,
"c": 4.870365142822266,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Ce3Ho | hard_negative | false | null | 0 | 0.096616 | 0.096616 | true | [
"metallic"
] | null |
mp-1183751 | [
"Co",
"Ni"
] | [
27,
28,
28,
28
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 3.487208127975464,
"b": 3.487208127975464,
"c": 3.487208127975464,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | CoNi3 | hard_negative | false | null | 0 | 0.024803 | 0.017065 | true | [
"metallic"
] | null |
mp-1183755 | [
"Ce",
"Nd"
] | [
58,
60,
60,
60
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 5.140026092529297,
"b": 5.140026092529297,
"c": 5.140026092529297,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | CeNd3 | hard_negative | false | null | 0 | 0.082934 | 0.082934 | true | [
"metallic"
] | null |
mp-1183761 | [
"Ce",
"Er"
] | [
58,
68,
68,
68
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 4.960390090942383,
"b": 4.960390090942383,
"c": 4.960390090942383,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | CeEr3 | hard_negative | false | null | 0 | 0.066235 | 0.066235 | true | [
"metallic"
] | null |
mp-1183767 | [
"Ce",
"Pm"
] | [
58,
58,
58,
61
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.83388090133667,
"b": 4.83388090133667,
"c": 4.83388090133667,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Ce3Pm | hard_negative | false | null | 0 | 0.102217 | 0.102217 | true | [
"metallic"
] | null |
mp-1183775 | [
"Ce",
"Hf"
] | [
58,
58,
58,
72
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.72868013381958,
"b": 4.72868013381958,
"c": 4.72868013381958,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Ce3Hf | hard_negative | false | null | 0 | 0.127101 | 0.127101 | true | [
"metallic"
] | null |
mp-1183778 | [
"Ru",
"Dy"
] | [
66,
44,
44,
44
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 4.047296047210693,
"b": 4.047296047210693,
"c": 4.047296047210693,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | DyRu3 | hard_negative | false | null | 0 | 0.414986 | 0.173008 | true | [
"metallic"
] | null |
mp-1183784 | [
"Cl",
"Ce"
] | [
58,
58,
58,
17
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.487671852111816,
"b": 4.487671852111816,
"c": 4.487671852111816,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Ce3Cl | hard_negative | false | null | 0 | 0.508608 | -0.347093 | true | [
"halide",
"metallic"
] | null |
mp-1183788 | [
"Dy",
"Ho"
] | [
66,
67,
67,
67
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 4.99940824508667,
"b": 4.99940824508667,
"c": 4.99940824508667,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | DyHo3 | hard_negative | false | null | 0 | 0.055325 | 0.047974 | true | [
"metallic"
] | null |
mp-1183793 | [
"Dy",
"Pa"
] | [
66,
91,
91,
91
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 4.702978134155273,
"b": 4.702978134155273,
"c": 4.702978134155273,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | DyPa3 | hard_negative | false | null | 0 | 0.188954 | 0.188954 | true | [
"metallic"
] | null |
mp-1183805 | [
"Zr",
"Dy"
] | [
66,
66,
66,
40
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.869217872619629,
"b": 4.869217872619629,
"c": 4.869217872619629,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Dy3Zr | hard_negative | false | null | 0 | 0.093073 | 0.093073 | true | [
"metallic"
] | null |
mp-1183834 | [
"Ce",
"Ho"
] | [
58,
67,
67,
67
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 5.022378921508789,
"b": 5.022378921508789,
"c": 5.022378921508789,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | CeHo3 | hard_negative | false | null | 0 | 0.068464 | 0.068464 | true | [
"metallic"
] | null |
mp-1183840 | [
"Ce",
"Er"
] | [
58,
58,
58,
68
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.842395782470703,
"b": 4.842395782470703,
"c": 4.842395782470703,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Ce3Er | hard_negative | false | null | 0 | 0.09647 | 0.09647 | true | [
"metallic"
] | null |
mp-1183889 | [
"Ce",
"Gd"
] | [
58,
58,
58,
64
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.841681957244873,
"b": 4.841681957244873,
"c": 4.841681957244873,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Ce3Gd | hard_negative | false | null | 0 | 0.088723 | 0.088723 | true | [
"metallic"
] | null |
mp-1183916 | [
"Cs",
"Ho"
] | [
55,
67,
67,
67
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 5.299436092376709,
"b": 5.299436092376709,
"c": 5.299436092376709,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | CsHo3 | hard_negative | false | null | 0 | 0.730356 | 0.730356 | true | [
"metallic"
] | null |
mp-1183927 | [
"Cs",
"Ac"
] | [
55,
89,
89,
89
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 5.80452299118042,
"b": 5.80452299118042,
"c": 5.80452299118042,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | CsAc3 | hard_negative | false | null | 0 | 0.416705 | 0.416705 | true | [
"metallic"
] | null |
mp-1183930 | [
"Cs",
"Pa"
] | [
55,
91,
91,
91
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
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]
] | {
"a": 4.7564568519592285,
"b": 4.7564568519592285,
"c": 4.7564568519592285,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | CsPa3 | hard_negative | false | null | 0 | 1.136898 | 1.136898 | true | [
"metallic"
] | null |
mp-1183932 | [
"Cs",
"La"
] | [
55,
57,
57,
57
] | 4 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
]
] | {
"a": 5.492867946624756,
"b": 5.492867946624756,
"c": 5.492867946624756,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | CsLa3 | hard_negative | false | null | 0 | 0.5304 | 0.5304 | true | [
"metallic"
] | null |
mp-1183939 | [
"Cs",
"Ba"
] | [
55,
56,
56,
56
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 6.604371070861816,
"b": 6.604371070861816,
"c": 6.604371070861816,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | CsBa3 | hard_negative | false | null | 0 | 0.159616 | 0.159616 | true | [
"metallic"
] | null |
mp-1183943 | [
"Cs",
"Yb"
] | [
55,
55,
55,
70
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 6.76674222946167,
"b": 6.76674222946167,
"c": 6.76674222946167,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Cs3Yb | hard_negative | false | null | 0 | 0.67958 | 0.67958 | true | [
"metallic"
] | null |
mp-1183945 | [
"Rb",
"Cs"
] | [
55,
37,
37,
37
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 7.391965389251709,
"b": 7.391965389251709,
"c": 7.391965389251709,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | CsRb3 | hard_negative | false | null | 0 | 0.027286 | 0.027286 | true | [
"metallic"
] | null |
mp-1183967 | [
"Ga",
"Ag"
] | [
31,
47,
47,
47
] | 4 | 2 | [
[
0,
0,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 4.081295490264893,
"b": 4.081295490264893,
"c": 4.081295490264893,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | GaAg3 | hard_negative | false | null | 0 | 0.042827 | 0.027584 | true | [
"metallic"
] | null |
mp-1183968 | [
"Cl",
"Cu"
] | [
29,
29,
29,
17
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 3.8494210243225098,
"b": 3.8494210243225098,
"c": 3.8494210243225098,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Cu3Cl | hard_negative | false | null | 0 | 0.51924 | 0.26798 | true | [
"halide",
"metallic"
] | null |
mp-1183969 | [
"Cu",
"Sb"
] | [
29,
29,
29,
51
] | 4 | 2 | [
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0,
0,
0
]
] | {
"a": 3.897336959838867,
"b": 3.897336959838867,
"c": 3.897336959838867,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Cu3Sb | hard_negative | false | null | 0 | 0.066539 | 0.066539 | true | [
"metallic"
] | null |
mp-1183973 | [
"Si",
"Ga"
] | [
31,
31,
31,
14
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.1326189041137695,
"b": 4.1326189041137695,
"c": 4.1326189041137695,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Ga3Si | hard_negative | false | null | 0 | 0.222542 | 0.222542 | true | [
"metallic"
] | null |
mp-1183974 | [
"Ga",
"Bi"
] | [
31,
83,
83,
83
] | 4 | 2 | [
[
0,
0,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 4.9177398681640625,
"b": 4.9177398681640625,
"c": 4.9177398681640625,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | GaBi3 | hard_negative | false | null | 0 | 0.120689 | 0.117239 | true | [
"metallic"
] | null |
mp-1183975 | [
"Ga",
"Ge"
] | [
31,
32,
32,
32
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 4.27846622467041,
"b": 4.27846622467041,
"c": 4.27846622467041,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | GaGe3 | hard_negative | false | null | 0 | 0.239834 | 0.239834 | true | [
"metallic"
] | null |
mp-1183978 | [
"Ga",
"Sn"
] | [
31,
31,
31,
50
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.375242710113525,
"b": 4.375242710113525,
"c": 4.375242710113525,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Ga3Sn | hard_negative | false | null | 0 | 0.201107 | 0.201107 | true | [
"metallic"
] | null |
mp-1183984 | [
"Cu",
"Te"
] | [
29,
29,
29,
52
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 3.946661949157715,
"b": 3.946661949157715,
"c": 3.946661949157715,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Cu3Te | hard_negative | false | null | 0 | 0.17997 | 0.137867 | true | [
"metallic"
] | null |
mp-1183992 | [
"Cs",
"Np"
] | [
55,
93,
93,
93
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 4.6718668937683105,
"b": 4.6718668937683105,
"c": 4.6718668937683105,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | CsNp3 | hard_negative | false | null | 0 | 1.604584 | 1.604584 | true | [
"metallic"
] | null |
mp-1183994 | [
"Sr",
"Cs"
] | [
55,
38,
38,
38
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 6.340365886688232,
"b": 6.340365886688232,
"c": 6.340365886688232,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | CsSr3 | hard_negative | false | null | 0 | 0.173738 | 0.173738 | true | [
"metallic"
] | null |
mp-1183995 | [
"Cu",
"Ga"
] | [
31,
29,
29,
29
] | 4 | 2 | [
[
0,
0,
0
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0.5,
0.5
]
] | {
"a": 3.645394802093506,
"b": 3.645394802093506,
"c": 3.645394802093506,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | GaCu3 | hard_negative | false | null | 0 | 0.008146 | -0.09602 | true | [
"metallic"
] | null |
mp-1183999 | [
"Cs",
"Yb"
] | [
55,
70,
70,
70
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 5.264543533325195,
"b": 5.264543533325195,
"c": 5.264543533325195,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | CsYb3 | hard_negative | false | null | 0 | 0.808433 | 0.808433 | true | [
"metallic"
] | null |
mp-1184008 | [
"Cu",
"As"
] | [
29,
29,
29,
33
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 3.702908992767334,
"b": 3.702908992767334,
"c": 3.702908992767334,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Cu3As | hard_negative | false | null | 0 | 0.045452 | 0.045452 | true | [
"metallic"
] | null |
mp-1184059 | [
"Dy",
"Hg"
] | [
66,
66,
66,
80
] | 4 | 2 | [
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.805221080780029,
"b": 4.805221080780029,
"c": 4.805221080780029,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Dy3Hg | hard_negative | false | null | 0 | 0.092347 | -0.196671 | true | [
"metallic"
] | null |
mp-1184060 | [
"Al",
"Dy"
] | [
66,
66,
66,
13
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.737296104431152,
"b": 4.737296104431152,
"c": 4.737296104431152,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Dy3Al | hard_negative | false | null | 0 | 0.033405 | -0.2248 | true | [
"metallic"
] | null |
mp-1184064 | [
"Dy",
"Tm"
] | [
66,
66,
66,
69
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.99704122543335,
"b": 4.99704122543335,
"c": 4.99704122543335,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Dy3Tm | hard_negative | false | null | 0 | 0.046883 | 0.046883 | true | [
"metallic"
] | null |
mp-1184065 | [
"Dy",
"Ho"
] | [
66,
66,
66,
67
] | 4 | 2 | [
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 5.01315975189209,
"b": 5.01315975189209,
"c": 5.01315975189209,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Dy3Ho | hard_negative | false | null | 0 | 0.052283 | 0.044932 | true | [
"metallic"
] | null |
mp-1184068 | [
"Dy",
"Bi"
] | [
66,
66,
66,
83
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.865561008453369,
"b": 4.865561008453369,
"c": 4.865561008453369,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Dy3Bi | hard_negative | false | null | 0 | 0.117863 | -0.430203 | true | [
"metallic"
] | null |
mp-1184093 | [
"Dy",
"Th"
] | [
66,
90,
90,
90
] | 4 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
]
] | {
"a": 5.0483527183532715,
"b": 5.0483527183532715,
"c": 5.0483527183532715,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | DyTh3 | hard_negative | false | null | 0 | 0.047243 | 0.047243 | true | [
"metallic"
] | null |
mp-1184100 | [
"Dy",
"Er"
] | [
66,
66,
66,
68
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 5.003596782684326,
"b": 5.003596782684326,
"c": 5.003596782684326,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Dy3Er | hard_negative | false | null | 0 | 0.049108 | 0.049108 | true | [
"metallic"
] | null |
mp-1184128 | [
"Cu",
"Pb"
] | [
29,
82,
82,
82
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 4.760354042053223,
"b": 4.760354042053223,
"c": 4.760354042053223,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | CuPb3 | hard_negative | false | null | 0 | 0.254687 | 0.254687 | true | [
"metallic"
] | null |
mp-1184154 | [
"Er",
"Hg"
] | [
68,
68,
68,
80
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.769466876983643,
"b": 4.769466876983643,
"c": 4.769466876983643,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Er3Hg | hard_negative | false | null | 0 | 0.094196 | -0.187677 | true | [
"metallic"
] | null |
mp-1184156 | [
"In",
"Er"
] | [
68,
68,
68,
49
] | 4 | 2 | [
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.779749870300293,
"b": 4.779749870300293,
"c": 4.779749870300293,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Er3In | hard_negative | false | null | 0 | 0.017236 | -0.32734 | true | [
"metallic"
] | null |
mp-1184165 | [
"Ga",
"Er"
] | [
68,
68,
68,
31
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.672863960266113,
"b": 4.672863960266113,
"c": 4.672863960266113,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Er3Ga | hard_negative | false | null | 0 | 0.100389 | -0.300717 | true | [
"metallic"
] | null |
mp-1184168 | [
"Er",
"Bi"
] | [
68,
83,
83,
83
] | 4 | 2 | [
[
0,
0,
0
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0.5,
0.5
]
] | {
"a": 4.93629789352417,
"b": 4.93629789352417,
"c": 4.93629789352417,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | ErBi3 | hard_negative | false | null | 0 | 0.123355 | -0.381331 | true | [
"metallic"
] | null |
mp-1184205 | [
"Er",
"Np"
] | [
68,
68,
68,
93
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.948739051818848,
"b": 4.948739051818848,
"c": 4.948739051818848,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Er3Np | hard_negative | false | null | 0 | 0.349597 | 0.349597 | true | [
"metallic"
] | null |
mp-1184209 | [
"Ga",
"Pd"
] | [
31,
46,
46,
46
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 3.888413190841675,
"b": 3.888413190841675,
"c": 3.888413190841675,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | GaPd3 | hard_negative | false | null | 0 | 0.056885 | -0.442254 | true | [
"metallic"
] | null |
mp-1184210 | [
"Ga",
"Pt"
] | [
31,
31,
31,
78
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.066939830780029,
"b": 4.066939830780029,
"c": 4.066939830780029,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Ga3Pt | hard_negative | false | null | 0 | 0.298211 | -0.152739 | true | [
"metallic"
] | null |
mp-1184212 | [
"P",
"Ga"
] | [
31,
31,
31,
15
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.23535680770874,
"b": 4.23535680770874,
"c": 4.23535680770874,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Ga3P | hard_negative | false | null | 0 | 0.357321 | 0.102863 | true | [
"metallic"
] | null |
mp-1184213 | [
"Ru",
"Er"
] | [
68,
44,
44,
44
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
]
] | {
"a": 4.0302581787109375,
"b": 4.0302581787109375,
"c": 4.0302581787109375,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | ErRu3 | hard_negative | false | null | 0 | 0.390869 | 0.118926 | true | [
"metallic"
] | null |
mp-1184214 | [
"Ga",
"Se"
] | [
31,
31,
31,
34
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.432465076446533,
"b": 4.432465076446533,
"c": 4.432465076446533,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Ga3Se | hard_negative | false | null | 0 | 0.245544 | -0.099466 | true | [
"metallic"
] | null |
mp-1184225 | [
"Fe",
"W"
] | [
26,
26,
26,
74
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 3.6335816383361816,
"b": 3.6335816383361816,
"c": 3.6335816383361816,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Fe3W | hard_negative | false | null | 0 | 0.082987 | 0.065536 | true | [
"metallic"
] | null |
mp-1184230 | [
"Fe",
"Ag"
] | [
26,
26,
26,
47
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 3.776007890701294,
"b": 3.776007890701294,
"c": 3.776007890701294,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Fe3Ag | hard_negative | false | null | 0 | 0.344623 | 0.344623 | true | [
"metallic"
] | null |
mp-1184232 | [
"Ga",
"As"
] | [
31,
31,
31,
33
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.3098602294921875,
"b": 4.3098602294921875,
"c": 4.3098602294921875,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Ga3As | hard_negative | false | null | 0 | 0.240518 | 0.01738 | true | [
"metallic"
] | null |
mp-1184256 | [
"Fe",
"Se"
] | [
26,
26,
26,
34
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 3.5896079540252686,
"b": 3.5896079540252686,
"c": 3.5896079540252686,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Fe3Se | hard_negative | false | null | 0 | 0.43793 | 0.183971 | true | [
"metallic"
] | null |
mp-1184275 | [
"Mg",
"Eu"
] | [
63,
63,
63,
12
] | 4 | 2 | [
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0,
0,
0
]
] | {
"a": 5.299073219299316,
"b": 5.299073219299316,
"c": 5.299073219299316,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Eu3Mg | hard_negative | false | null | 0 | 0.053129 | 0.02092 | true | [
"metallic"
] | null |
mp-1184279 | [
"F",
"Fe"
] | [
26,
26,
26,
9
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 3.8464620113372803,
"b": 3.8464620113372803,
"c": 3.8464620113372803,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Fe3F | hard_negative | false | null | 0 | 1.658709 | 0.687243 | true | [
"halide",
"metallic"
] | null |
mp-1184295 | [
"Ag",
"Eu"
] | [
63,
63,
63,
47
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 5.103737831115723,
"b": 5.103737831115723,
"c": 5.103737831115723,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Eu3Ag | hard_negative | false | null | 0 | 0.130057 | -0.035899 | true | [
"metallic"
] | null |
mp-11843 | [
"Al",
"Dy"
] | [
66,
13
] | 2 | 2 | [
[
0.5,
0.5,
0.5
],
[
0,
0,
0
]
] | {
"a": 3.5835633277893066,
"b": 3.5835633277893066,
"c": 3.5835633277893066,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | DyAl | hard_negative | false | null | 0 | 0.038093 | -0.444183 | true | [
"metallic"
] | null |
mp-1184319 | [
"Zr",
"Eu"
] | [
63,
63,
63,
40
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 5.2343668937683105,
"b": 5.2343668937683105,
"c": 5.2343668937683105,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Eu3Zr | hard_negative | false | null | 0 | 0.330264 | 0.330264 | true | [
"metallic"
] | null |
mp-1184329 | [
"Cr",
"Eu"
] | [
63,
63,
63,
24
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 5.205812931060791,
"b": 5.205812931060791,
"c": 5.205812931060791,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Eu3Cr | hard_negative | false | null | 0 | 0.442965 | 0.442965 | true | [
"metallic"
] | null |
mp-1184331 | [
"Er",
"Pa"
] | [
68,
91,
91,
91
] | 4 | 2 | [
[
0,
0,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 4.703784942626953,
"b": 4.703784942626953,
"c": 4.703784942626953,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | ErPa3 | hard_negative | false | null | 0 | 0.172853 | 0.172853 | true | [
"metallic"
] | null |
mp-1184332 | [
"Ti",
"Eu"
] | [
63,
63,
63,
22
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 5.167304992675781,
"b": 5.167304992675781,
"c": 5.167304992675781,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Eu3Ti | hard_negative | false | null | 0 | 0.381321 | 0.381321 | true | [
"metallic"
] | null |
mp-1184361 | [
"Ga",
"Pb"
] | [
31,
31,
31,
82
] | 4 | 2 | [
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] | {
"a": 4.526369094848633,
"b": 4.526369094848633,
"c": 4.526369094848633,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | Ga3Pb | hard_negative | false | null | 0 | 0.093646 | 0.093646 | true | [
"metallic"
] | null |
mp-1184378 | [
"In",
"Eu"
] | [
63,
49,
49,
49
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
]
] | {
"a": 4.718548774719238,
"b": 4.718548774719238,
"c": 4.718548774719238,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | EuIn3 | hard_negative | false | null | 0 | 0 | -0.360437 | true | [
"metallic"
] | null |
mp-1184384 | [
"Eu",
"Th"
] | [
63,
90,
90,
90
] | 4 | 2 | [
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] | {
"a": 5.104765892028809,
"b": 5.104765892028809,
"c": 5.104765892028809,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 221 | EuTh3 | hard_negative | false | null | 0 | 0.146234 | 0.146234 | true | [
"metallic"
] | null |
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