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,
0
]
] |
{
"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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