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-1184385
|
[
"Te",
"Eu"
] |
[
63,
63,
63,
52
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 5.155858993530273,
"b": 5.155858993530273,
"c": 5.155858993530273,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Eu3Te
|
hard_negative
| false
| null | 0
| 0.244144
| -0.752146
| true
|
[
"metallic"
] | null |
mp-1184401
|
[
"Ga",
"Gd"
] |
[
64,
64,
64,
31
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 4.759036540985107,
"b": 4.759036540985107,
"c": 4.759036540985107,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Gd3Ga
|
hard_negative
| false
| null | 0
| 0.039677
| -0.278525
| true
|
[
"metallic"
] | null |
mp-1184404
|
[
"Eu",
"U"
] |
[
63,
92,
92,
92
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 4.491148948669434,
"b": 4.491148948669434,
"c": 4.491148948669434,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
EuU3
|
hard_negative
| false
| null | 0
| 0.72828
| 0.72828
| true
|
[
"metallic"
] | null |
mp-1184417
|
[
"Al",
"Gd"
] |
[
64,
64,
64,
13
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 4.807707786560059,
"b": 4.807707786560059,
"c": 4.807707786560059,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Gd3Al
|
hard_negative
| false
| null | 0
| 0
| -0.219808
| true
|
[
"metallic"
] | null |
mp-1184423
|
[
"I",
"Gd"
] |
[
64,
64,
64,
53
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 5.058466911315918,
"b": 5.058466911315918,
"c": 5.058466911315918,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Gd3I
|
hard_negative
| false
| null | 0
| 0
| -0.192329
| true
|
[
"halide",
"metallic"
] | null |
mp-1184429
|
[
"Eu",
"Th"
] |
[
63,
63,
63,
90
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 5.3677659034729,
"b": 5.3677659034729,
"c": 5.3677659034729,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Eu3Th
|
hard_negative
| false
| null | 0
| 0.227322
| 0.227322
| true
|
[
"metallic"
] | null |
mp-1184431
|
[
"Gd",
"Dy"
] |
[
64,
64,
64,
66
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0,
0
]
] |
{
"a": 5.164602279663086,
"b": 5.164602279663086,
"c": 5.164602279663086,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Gd3Dy
|
hard_negative
| false
| null | 0
| 0.079802
| 0.073851
| true
|
[
"metallic"
] | null |
mp-1184453
|
[
"Gd",
"Er"
] |
[
64,
64,
64,
68
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 5.145644664764404,
"b": 5.145644664764404,
"c": 5.145644664764404,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Gd3Er
|
hard_negative
| false
| null | 0
| 0.072918
| 0.072918
| true
|
[
"metallic"
] | null |
mp-1184460
|
[
"Zn",
"Gd"
] |
[
64,
64,
64,
30
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 4.820990085601807,
"b": 4.820990085601807,
"c": 4.820990085601807,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Gd3Zn
|
hard_negative
| false
| null | 0
| 0.11303
| -0.059451
| true
|
[
"metallic"
] | null |
mp-1184461
|
[
"Gd",
"Au"
] |
[
64,
64,
64,
79
] | 4
| 2
|
[
[
0.5,
0,
0
],
[
0,
0.5,
0
],
[
0,
0,
0.5
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 4.80244779586792,
"b": 4.80244779586792,
"c": 4.80244779586792,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Gd3Au
|
hard_negative
| false
| null | 0
| 0.13318
| -0.288535
| true
|
[
"metallic"
] | null |
mp-1184469
|
[
"Y",
"Gd"
] |
[
64,
64,
64,
39
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 5.179944038391113,
"b": 5.179944038391113,
"c": 5.179944038391113,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Gd3Y
|
hard_negative
| false
| null | 0
| 0.071383
| 0.071383
| true
|
[
"metallic"
] | null |
mp-1184479
|
[
"In",
"Gd"
] |
[
64,
64,
64,
49
] | 4
| 2
|
[
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 4.890183448791504,
"b": 4.890183448791504,
"c": 4.890183448791504,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Gd3In
|
hard_negative
| false
| null | 0
| 0
| -0.381481
| true
|
[
"metallic"
] | null |
mp-1184480
|
[
"Cu",
"In"
] |
[
49,
49,
49,
29
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 4.482767105102539,
"b": 4.482767105102539,
"c": 4.482767105102539,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
In3Cu
|
hard_negative
| false
| null | 0
| 0.192656
| 0.174031
| true
|
[
"metallic"
] | null |
mp-1184483
|
[
"B",
"In"
] |
[
49,
49,
49,
5
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 4.4437642097473145,
"b": 4.4437642097473145,
"c": 4.4437642097473145,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
In3B
|
hard_negative
| false
| null | 0
| 0.900622
| 0.900622
| true
|
[
"metallic"
] | null |
mp-1184488
|
[
"In",
"Bi"
] |
[
49,
49,
49,
83
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 4.8507609367370605,
"b": 4.8507609367370605,
"c": 4.8507609367370605,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
In3Bi
|
hard_negative
| false
| null | 0
| 0.08003
| 0.044236
| true
|
[
"metallic"
] | null |
mp-1184544
|
[
"Gd",
"Np"
] |
[
64,
93,
93,
93
] | 4
| 2
|
[
[
0,
0,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 4.609486103057861,
"b": 4.609486103057861,
"c": 4.609486103057861,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
GdNp3
|
hard_negative
| false
| null | 0
| 0.674969
| 0.674969
| true
|
[
"metallic"
] | null |
mp-1184545
|
[
"H",
"Pt"
] |
[
1,
78,
78,
78
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 3.8179221153259277,
"b": 3.8179221153259277,
"c": 3.8179221153259277,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
HPt3
|
hard_negative
| false
| null | 0
| 0.567568
| 0.567568
| true
|
[
"metallic"
] | null |
mp-1184547
|
[
"Se",
"Hf"
] |
[
72,
72,
72,
34
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 4.3384809494018555,
"b": 4.3384809494018555,
"c": 4.3384809494018555,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Hf3Se
|
hard_negative
| false
| null | 0
| 0.506448
| -0.196422
| true
|
[
"metallic"
] | null |
mp-1184551
|
[
"Pt",
"Hg"
] |
[
80,
80,
80,
78
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 4.344221115112305,
"b": 4.344221115112305,
"c": 4.344221115112305,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Hg3Pt
|
hard_negative
| false
| null | 0
| 0.29686
| 0.181488
| true
|
[
"metallic"
] | null |
mp-1184552
|
[
"Hf",
"Ta"
] |
[
72,
72,
72,
73
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 4.406881809234619,
"b": 4.406881809234619,
"c": 4.406881809234619,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Hf3Ta
|
hard_negative
| false
| null | 0
| 0.148228
| 0.148228
| true
|
[
"metallic"
] | null |
mp-1184553
|
[
"Hf",
"Pt"
] |
[
72,
72,
72,
78
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 4.305355072021484,
"b": 4.305355072021484,
"c": 4.305355072021484,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Hf3Pt
|
hard_negative
| false
| null | 0
| 0.168084
| -0.46221
| true
|
[
"metallic"
] | null |
mp-1184558
|
[
"Sn",
"Hf"
] |
[
72,
72,
72,
50
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 4.41221284866333,
"b": 4.41221284866333,
"c": 4.41221284866333,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Hf3Sn
|
hard_negative
| false
| null | 0
| 0.021194
| -0.263516
| true
|
[
"metallic"
] | null |
mp-1184564
|
[
"Ag",
"Hf"
] |
[
72,
72,
72,
47
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 4.371479034423828,
"b": 4.371479034423828,
"c": 4.371479034423828,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Hf3Ag
|
hard_negative
| false
| null | 0
| 0.182994
| 0.097795
| true
|
[
"metallic"
] | null |
mp-1184570
|
[
"Ni",
"Hf"
] |
[
72,
72,
72,
28
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 4.244662761688232,
"b": 4.244662761688232,
"c": 4.244662761688232,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Hf3Ni
|
hard_negative
| false
| null | 0
| 0.295653
| 0.03731
| true
|
[
"metallic"
] | null |
mp-1184571
|
[
"Ge",
"Hg"
] |
[
80,
32,
32,
32
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 4.395510196685791,
"b": 4.395510196685791,
"c": 4.395510196685791,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
HgGe3
|
hard_negative
| false
| null | 0
| 0.342304
| 0.342304
| true
|
[
"metallic"
] | null |
mp-1184575
|
[
"Ho",
"Er"
] |
[
67,
67,
67,
68
] | 4
| 2
|
[
[
0.5,
0.5,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0,
0,
0
]
] |
{
"a": 4.985797882080078,
"b": 4.985797882080078,
"c": 4.985797882080078,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Ho3Er
|
hard_negative
| false
| null | 0
| 0.059783
| 0.054023
| true
|
[
"metallic"
] | null |
mp-1184578
|
[
"Ho",
"Bi"
] |
[
67,
67,
67,
83
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 4.850482940673828,
"b": 4.850482940673828,
"c": 4.850482940673828,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Ho3Bi
|
hard_negative
| false
| null | 0
| 0.128995
| -0.401764
| true
|
[
"metallic"
] | null |
mp-1184639
|
[
"Y",
"Gd"
] |
[
64,
39,
39,
39
] | 4
| 2
|
[
[
0,
0,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 5.100908279418945,
"b": 5.100908279418945,
"c": 5.100908279418945,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
GdY3
|
hard_negative
| false
| null | 0
| 0.103353
| 0.103353
| true
|
[
"metallic"
] | null |
mp-1184654
|
[
"Co",
"Hf"
] |
[
72,
72,
72,
27
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 4.242269992828369,
"b": 4.242269992828369,
"c": 4.242269992828369,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Hf3Co
|
hard_negative
| false
| null | 0
| 0.350177
| 0.132982
| true
|
[
"metallic"
] | null |
mp-1184660
|
[
"Ga",
"Ho"
] |
[
67,
67,
67,
31
] | 4
| 2
|
[
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0,
0,
0
]
] |
{
"a": 4.69647216796875,
"b": 4.69647216796875,
"c": 4.69647216796875,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Ho3Ga
|
hard_negative
| false
| null | 0
| 0.104031
| -0.228458
| true
|
[
"metallic"
] | null |
mp-1184682
|
[
"Ge",
"Pd"
] |
[
32,
32,
32,
46
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 4.142023086547852,
"b": 4.142023086547852,
"c": 4.142023086547852,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Ge3Pd
|
hard_negative
| false
| null | 0
| 0.296874
| 0.066291
| true
|
[
"metallic"
] | null |
mp-1184703
|
[
"Hf",
"Pb"
] |
[
72,
72,
72,
82
] | 4
| 2
|
[
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 4.4512410163879395,
"b": 4.4512410163879395,
"c": 4.4512410163879395,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Hf3Pb
|
hard_negative
| false
| null | 0
| 0.019861
| -0.051654
| true
|
[
"metallic"
] | null |
mp-1184733
|
[
"Gd",
"Th"
] |
[
64,
90,
90,
90
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 5.196683883666992,
"b": 5.196683883666992,
"c": 5.196683883666992,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
GdTh3
|
hard_negative
| false
| null | 0
| 0.067224
| 0.067224
| true
|
[
"metallic"
] | null |
mp-1184759
|
[
"Ir",
"Pt"
] |
[
77,
78,
78,
78
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 3.9512529373168945,
"b": 3.9512529373168945,
"c": 3.9512529373168945,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
IrPt3
|
hard_negative
| false
| null | 0
| 0.081637
| 0.081637
| true
|
[
"metallic"
] | null |
mp-1184761
|
[
"Os",
"Ir"
] |
[
77,
77,
77,
76
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0,
0
]
] |
{
"a": 3.848073959350586,
"b": 3.848073959350586,
"c": 3.848073959350586,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Ir3Os
|
hard_negative
| false
| null | 0
| 0.021402
| 0.021402
| true
|
[
"metallic"
] | null |
mp-1184768
|
[
"Rh",
"Ir"
] |
[
77,
45,
45,
45
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 3.8170602321624756,
"b": 3.8170602321624756,
"c": 3.8170602321624756,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
IrRh3
|
hard_negative
| false
| null | 0
| 0.008114
| -0.01109
| true
|
[
"metallic"
] | null |
mp-1184771
|
[
"Rh",
"Ir"
] |
[
77,
77,
77,
45
] | 4
| 2
|
[
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 3.8403358459472656,
"b": 3.8403358459472656,
"c": 3.8403358459472656,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Ir3Rh
|
hard_negative
| false
| null | 0
| 0.006866
| -0.01834
| true
|
[
"metallic"
] | null |
mp-1184776
|
[
"In",
"Sn"
] |
[
49,
50,
50,
50
] | 4
| 2
|
[
[
0,
0,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 4.771991729736328,
"b": 4.771991729736328,
"c": 4.771991729736328,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
InSn3
|
hard_negative
| false
| null | 0
| 0.181786
| 0.181786
| true
|
[
"metallic"
] | null |
mp-1184777
|
[
"Ir",
"Pb"
] |
[
77,
77,
77,
82
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 4.052024841308594,
"b": 4.052024841308594,
"c": 4.052024841308594,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Ir3Pb
|
hard_negative
| false
| null | 0
| 0.446325
| 0.446325
| true
|
[
"metallic"
] | null |
mp-1184785
|
[
"Ga",
"In"
] |
[
49,
31,
31,
31
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 4.301086902618408,
"b": 4.301086902618408,
"c": 4.301086902618408,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
InGa3
|
hard_negative
| false
| null | 0
| 0.148116
| 0.148116
| true
|
[
"metallic"
] | null |
mp-1184825
|
[
"In",
"Pt"
] |
[
49,
49,
49,
78
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 4.44247579574585,
"b": 4.44247579574585,
"c": 4.44247579574585,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
In3Pt
|
hard_negative
| false
| null | 0
| 0.333782
| -0.119608
| true
|
[
"metallic"
] | null |
mp-1184826
|
[
"Pd",
"In"
] |
[
49,
49,
49,
46
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 4.462231159210205,
"b": 4.462231159210205,
"c": 4.462231159210205,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
In3Pd
|
hard_negative
| false
| null | 0
| 0.256205
| -0.114111
| true
|
[
"metallic"
] | null |
mp-1184834
|
[
"K",
"Ga"
] |
[
19,
19,
19,
31
] | 4
| 2
|
[
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 5.7236552238464355,
"b": 5.7236552238464355,
"c": 5.7236552238464355,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
K3Ga
|
hard_negative
| false
| null | 0
| 0.247845
| 0.190306
| true
|
[
"metallic"
] | null |
mp-1184840
|
[
"Al",
"K"
] |
[
19,
19,
19,
13
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 5.771873950958252,
"b": 5.771873950958252,
"c": 5.771873950958252,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
K3Al
|
hard_negative
| false
| null | 0
| 0.323438
| 0.323438
| true
|
[
"metallic"
] | null |
mp-1184844
|
[
"Na",
"K"
] |
[
19,
19,
19,
11
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 6.369323253631592,
"b": 6.369323253631592,
"c": 6.369323253631592,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
K3Na
|
hard_negative
| false
| null | 0
| 0.023116
| 0.023116
| true
|
[
"metallic"
] | null |
mp-1184845
|
[
"Li",
"K"
] |
[
19,
19,
19,
3
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 6.185196876525879,
"b": 6.185196876525879,
"c": 6.185196876525879,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
K3Li
|
hard_negative
| true
| 1
| 0
| 0.117595
| 0.117595
| true
|
[
"li",
"metallic"
] | null |
mp-1184848
|
[
"K",
"Mo"
] |
[
19,
19,
19,
42
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 5.883749961853027,
"b": 5.883749961853027,
"c": 5.883749961853027,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
K3Mo
|
hard_negative
| false
| null | 0
| 1.181838
| 1.181838
| true
|
[
"metallic"
] | null |
mp-1184849
|
[
"Mg",
"K"
] |
[
19,
19,
19,
12
] | 4
| 2
|
[
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0,
0,
0
]
] |
{
"a": 6.025417804718018,
"b": 6.025417804718018,
"c": 6.025417804718018,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
K3Mg
|
hard_negative
| false
| null | 0
| 0.151471
| 0.151471
| true
|
[
"metallic"
] | null |
mp-1184852
|
[
"Ni",
"In"
] |
[
49,
49,
49,
28
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 4.42262601852417,
"b": 4.42262601852417,
"c": 4.42262601852417,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
In3Ni
|
hard_negative
| false
| null | 0
| 0.341627
| 0.202422
| true
|
[
"metallic"
] | null |
mp-1184853
|
[
"Si",
"In"
] |
[
49,
49,
49,
14
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 4.598455905914307,
"b": 4.598455905914307,
"c": 4.598455905914307,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
In3Si
|
hard_negative
| false
| null | 0
| 0.312896
| 0.312896
| true
|
[
"metallic"
] | null |
mp-1184855
|
[
"K",
"Ca"
] |
[
19,
19,
19,
20
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 6.324127197265625,
"b": 6.324127197265625,
"c": 6.324127197265625,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
K3Ca
|
hard_negative
| false
| null | 0
| 0.158566
| 0.158566
| true
|
[
"metallic"
] | null |
mp-1184864
|
[
"K",
"Ba"
] |
[
19,
19,
19,
56
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 6.562897205352783,
"b": 6.562897205352783,
"c": 6.562897205352783,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
K3Ba
|
hard_negative
| false
| null | 0
| 0.130666
| 0.130666
| true
|
[
"metallic"
] | null |
mp-1184868
|
[
"K",
"Hf"
] |
[
19,
19,
19,
72
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0,
0
]
] |
{
"a": 5.787607192993164,
"b": 5.787607192993164,
"c": 5.787607192993164,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
K3Hf
|
hard_negative
| false
| null | 0
| 1.180995
| 1.180995
| true
|
[
"metallic"
] | null |
mp-1184871
|
[
"K",
"Lu"
] |
[
19,
19,
19,
71
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 6.087672233581543,
"b": 6.087672233581543,
"c": 6.087672233581543,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
K3Lu
|
hard_negative
| false
| null | 0
| 0.580123
| 0.580123
| true
|
[
"metallic"
] | null |
mp-1184874
|
[
"K",
"Cr"
] |
[
19,
19,
19,
24
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 5.918217182159424,
"b": 5.918217182159424,
"c": 5.918217182159424,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
K3Cr
|
hard_negative
| false
| null | 0
| 0.677225
| 0.677225
| true
|
[
"metallic"
] | null |
mp-1184878
|
[
"K",
"Cu"
] |
[
19,
19,
19,
29
] | 4
| 2
|
[
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0.5,
0.5
],
[
0,
0,
0
]
] |
{
"a": 5.813224792480469,
"b": 5.813224792480469,
"c": 5.813224792480469,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
K3Cu
|
hard_negative
| false
| null | 0
| 0.338927
| 0.338927
| true
|
[
"metallic"
] | null |
mp-1184883
|
[
"Se",
"In"
] |
[
49,
49,
49,
34
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 4.803758144378662,
"b": 4.803758144378662,
"c": 4.803758144378662,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
In3Se
|
hard_negative
| false
| null | 0
| 0.152078
| -0.186285
| true
|
[
"metallic"
] | null |
mp-1184892
|
[
"S",
"In"
] |
[
49,
49,
49,
16
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0,
0
]
] |
{
"a": 4.729251861572266,
"b": 4.729251861572266,
"c": 4.729251861572266,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
In3S
|
hard_negative
| false
| null | 0
| 0.221909
| -0.119769
| true
|
[
"sulfide",
"metallic"
] | null |
mp-1184894
|
[
"In",
"Sn"
] |
[
49,
49,
49,
50
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 4.759232997894287,
"b": 4.759232997894287,
"c": 4.759232997894287,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
In3Sn
|
hard_negative
| false
| null | 0
| 0.061922
| 0.061922
| true
|
[
"metallic"
] | null |
mp-1184901
|
[
"K",
"Mn"
] |
[
19,
19,
19,
25
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 5.735421180725098,
"b": 5.735421180725098,
"c": 5.735421180725098,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
K3Mn
|
hard_negative
| false
| null | 0
| 0.659941
| 0.659941
| true
|
[
"metallic"
] | null |
mp-1184926
|
[
"Ho",
"Np"
] |
[
67,
93,
93,
93
] | 4
| 2
|
[
[
0,
0,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 4.638693809509277,
"b": 4.638693809509277,
"c": 4.638693809509277,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
HoNp3
|
hard_negative
| false
| null | 0
| 0.688826
| 0.688826
| true
|
[
"metallic"
] | null |
mp-1184943
|
[
"K",
"Bi"
] |
[
19,
83,
83,
83
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 5.072352886199951,
"b": 5.072352886199951,
"c": 5.072352886199951,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
KBi3
|
hard_negative
| false
| null | 0
| 0.142554
| -0.151029
| true
|
[
"metallic"
] | null |
mp-1184963
|
[
"K",
"Pm"
] |
[
19,
61,
61,
61
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 5.340834140777588,
"b": 5.340834140777588,
"c": 5.340834140777588,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
KPm3
|
hard_negative
| false
| null | 0
| 0.481068
| 0.481068
| true
|
[
"metallic"
] | null |
mp-1184975
|
[
"Zn",
"La"
] |
[
57,
57,
57,
30
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 4.963663101196289,
"b": 4.963663101196289,
"c": 4.963663101196289,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
La3Zn
|
hard_negative
| false
| null | 0
| 0.097378
| -0.065295
| true
|
[
"metallic"
] | null |
mp-1184984
|
[
"K",
"Ca"
] |
[
19,
20,
20,
20
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 5.753387928009033,
"b": 5.753387928009033,
"c": 5.753387928009033,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
KCa3
|
hard_negative
| false
| null | 0
| 0.171838
| 0.171838
| true
|
[
"metallic"
] | null |
mp-1184993
|
[
"Ag",
"La"
] |
[
57,
57,
57,
47
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 5.01950216293335,
"b": 5.01950216293335,
"c": 5.01950216293335,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
La3Ag
|
hard_negative
| false
| null | 0
| 0.122415
| -0.016329
| true
|
[
"metallic"
] | null |
mp-1184995
|
[
"Cd",
"La"
] |
[
57,
57,
57,
48
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 5.072547912597656,
"b": 5.072547912597656,
"c": 5.072547912597656,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
La3Cd
|
hard_negative
| false
| null | 0
| 0.040731
| -0.11227
| true
|
[
"metallic"
] | null |
mp-1185
|
[
"V",
"Rh"
] |
[
23,
45,
45,
45
] | 4
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
]
] |
{
"a": 3.7797625064849854,
"b": 3.7797625064849854,
"c": 3.7797625064849854,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
VRh3
|
hard_negative
| false
| null | 0
| 0.008833
| -0.407127
| true
|
[
"metallic"
] | null |
mp-1185002
|
[
"Br",
"La"
] |
[
57,
57,
57,
35
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 4.967870235443115,
"b": 4.967870235443115,
"c": 4.967870235443115,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
La3Br
|
hard_negative
| false
| null | 0
| 0.449323
| -0.366523
| true
|
[
"halide",
"metallic"
] | null |
mp-1185003
|
[
"Cl",
"La"
] |
[
57,
57,
57,
17
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 4.897745132446289,
"b": 4.897745132446289,
"c": 4.897745132446289,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
La3Cl
|
hard_negative
| false
| null | 0
| 0.584514
| -0.317415
| true
|
[
"halide",
"metallic"
] | null |
mp-1185005
|
[
"K",
"La"
] |
[
19,
57,
57,
57
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 5.456387042999268,
"b": 5.456387042999268,
"c": 5.456387042999268,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
KLa3
|
hard_negative
| false
| null | 0
| 0.441207
| 0.441207
| true
|
[
"metallic"
] | null |
mp-1185006
|
[
"K",
"Sr"
] |
[
19,
38,
38,
38
] | 4
| 2
|
[
[
0,
0,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 6.152297019958496,
"b": 6.152297019958496,
"c": 6.152297019958496,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
KSr3
|
hard_negative
| false
| null | 0
| 0.104726
| 0.104726
| true
|
[
"metallic"
] | null |
mp-1185011
|
[
"Zr",
"La"
] |
[
57,
57,
57,
40
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 5.072673797607422,
"b": 5.072673797607422,
"c": 5.072673797607422,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
La3Zr
|
hard_negative
| false
| null | 0
| 0.165066
| 0.165066
| true
|
[
"metallic"
] | null |
mp-1185031
|
[
"K",
"Zn"
] |
[
19,
19,
19,
30
] | 4
| 2
|
[
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0.5,
0.5
],
[
0,
0,
0
]
] |
{
"a": 5.848736763000488,
"b": 5.848736763000488,
"c": 5.848736763000488,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
K3Zn
|
hard_negative
| false
| null | 0
| 0.167733
| 0.142045
| true
|
[
"metallic"
] | null |
mp-1185032
|
[
"K",
"Ac"
] |
[
19,
89,
89,
89
] | 4
| 2
|
[
[
0,
0,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 5.743599891662598,
"b": 5.743599891662598,
"c": 5.743599891662598,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
KAc3
|
hard_negative
| false
| null | 0
| 0.334203
| 0.334203
| true
|
[
"metallic"
] | null |
mp-1185037
|
[
"Y",
"La"
] |
[
57,
39,
39,
39
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 5.1718010902404785,
"b": 5.1718010902404785,
"c": 5.1718010902404785,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
LaY3
|
hard_negative
| false
| null | 0
| 0.077517
| 0.077517
| true
|
[
"metallic"
] | null |
mp-1185041
|
[
"K",
"Hg"
] |
[
19,
80,
80,
80
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 4.940701961517334,
"b": 4.940701961517334,
"c": 4.940701961517334,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
KHg3
|
hard_negative
| false
| null | 0
| 0.040812
| -0.21159
| true
|
[
"metallic"
] | null |
mp-1185044
|
[
"La",
"Pr"
] |
[
57,
59,
59,
59
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 5.271450519561768,
"b": 5.271450519561768,
"c": 5.271450519561768,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
LaPr3
|
hard_negative
| false
| null | 0
| 0.032083
| 0.032083
| true
|
[
"metallic"
] | null |
mp-1185051
|
[
"K",
"Ce"
] |
[
19,
58,
58,
58
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 5.109015941619873,
"b": 5.109015941619873,
"c": 5.109015941619873,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
KCe3
|
hard_negative
| false
| null | 0
| 0.716107
| 0.716107
| true
|
[
"metallic"
] | null |
mp-1185074
|
[
"La",
"Nd"
] |
[
57,
60,
60,
60
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 5.23800802230835,
"b": 5.23800802230835,
"c": 5.23800802230835,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
LaNd3
|
hard_negative
| false
| null | 0
| 0.023678
| 0.023678
| true
|
[
"metallic"
] | null |
mp-1185080
|
[
"K",
"Rb"
] |
[
19,
37,
37,
37
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 7.141485214233398,
"b": 7.141485214233398,
"c": 7.141485214233398,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
KRb3
|
hard_negative
| false
| null | 0
| 0.022713
| 0.022713
| true
|
[
"metallic"
] | null |
mp-1185081
|
[
"K",
"Eu"
] |
[
19,
63,
63,
63
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 5.885039806365967,
"b": 5.885039806365967,
"c": 5.885039806365967,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
KEu3
|
hard_negative
| false
| null | 0
| 0.201531
| 0.201531
| true
|
[
"metallic"
] | null |
mp-1185105
|
[
"La",
"U"
] |
[
57,
92,
92,
92
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 4.5460100173950195,
"b": 4.5460100173950195,
"c": 4.5460100173950195,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
LaU3
|
hard_negative
| false
| null | 0
| 0.570656
| 0.570656
| true
|
[
"metallic"
] | null |
mp-1185108
|
[
"K",
"Zr"
] |
[
19,
19,
19,
40
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 5.945282936096191,
"b": 5.945282936096191,
"c": 5.945282936096191,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
K3Zr
|
hard_negative
| false
| null | 0
| 0.981724
| 0.981724
| true
|
[
"metallic"
] | null |
mp-1185177
|
[
"K",
"Th"
] |
[
19,
19,
19,
90
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 6.018195152282715,
"b": 6.018195152282715,
"c": 6.018195152282715,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
K3Th
|
hard_negative
| false
| null | 0
| 0.963661
| 0.963661
| true
|
[
"metallic"
] | null |
mp-1185187
|
[
"Li",
"Mo"
] |
[
3,
3,
3,
42
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 4.015206813812256,
"b": 4.015206813812256,
"c": 4.015206813812256,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Li3Mo
|
hard_negative
| true
| 3
| 0
| 0.748376
| 0.748376
| true
|
[
"li",
"metallic"
] | null |
mp-1185202
|
[
"K",
"Pb"
] |
[
19,
82,
82,
82
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 5.101370811462402,
"b": 5.101370811462402,
"c": 5.101370811462402,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
KPb3
|
hard_negative
| false
| null | 0
| 0.068886
| -0.133124
| true
|
[
"metallic"
] | null |
mp-1185213
|
[
"K",
"U"
] |
[
19,
19,
19,
92
] | 4
| 2
|
[
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 6.127287864685059,
"b": 6.127287864685059,
"c": 6.127287864685059,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
K3U
|
hard_negative
| false
| null | 0
| 1.154708
| 1.154708
| true
|
[
"metallic"
] | null |
mp-1185237
|
[
"Li",
"W"
] |
[
3,
74,
74,
74
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 3.9342141151428223,
"b": 3.9342141151428223,
"c": 3.9342141151428223,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
LiW3
|
hard_negative
| true
| 1
| 0
| 0.494703
| 0.494703
| true
|
[
"li",
"metallic"
] | null |
mp-1185240
|
[
"Li",
"Y"
] |
[
3,
39,
39,
39
] | 4
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
]
] |
{
"a": 4.91970682144165,
"b": 4.91970682144165,
"c": 4.91970682144165,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
LiY3
|
hard_negative
| true
| 1
| 0
| 0.19774
| 0.19774
| true
|
[
"li",
"metallic"
] | null |
mp-1185287
|
[
"Li",
"Ac"
] |
[
3,
89,
89,
89
] | 4
| 2
|
[
[
0,
0,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 5.437827110290527,
"b": 5.437827110290527,
"c": 5.437827110290527,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
LiAc3
|
hard_negative
| true
| 1
| 0
| 0.166801
| 0.166801
| true
|
[
"li",
"metallic"
] | null |
mp-1185300
|
[
"Li",
"Ag"
] |
[
3,
47,
47,
47
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 4.0451273918151855,
"b": 4.0451273918151855,
"c": 4.0451273918151855,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
LiAg3
|
hard_negative
| true
| 1
| 0
| 0.008753
| -0.120045
| true
|
[
"li",
"metallic"
] | null |
mp-1185312
|
[
"Li",
"Cu"
] |
[
3,
29,
29,
29
] | 4
| 2
|
[
[
0,
0,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 3.5924670696258545,
"b": 3.5924670696258545,
"c": 3.5924670696258545,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
LiCu3
|
hard_negative
| true
| 1
| 0
| 0.006164
| -0.00511
| true
|
[
"li",
"metallic"
] | null |
mp-1185343
|
[
"Li",
"Ce"
] |
[
3,
58,
58,
58
] | 4
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
]
] |
{
"a": 4.737870216369629,
"b": 4.737870216369629,
"c": 4.737870216369629,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
LiCe3
|
hard_negative
| true
| 1
| 0
| 0.264832
| 0.264832
| true
|
[
"li",
"metallic"
] | null |
mp-1185395
|
[
"Li",
"Pm"
] |
[
3,
61,
61,
61
] | 4
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
]
] |
{
"a": 4.998941898345947,
"b": 4.998941898345947,
"c": 4.998941898345947,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
LiPm3
|
hard_negative
| true
| 1
| 0
| 0.155674
| 0.155674
| true
|
[
"li",
"metallic"
] | null |
mp-1185406
|
[
"Li",
"Pr"
] |
[
3,
59,
59,
59
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.5
]
] |
{
"a": 5.069571018218994,
"b": 5.069571018218994,
"c": 5.069571018218994,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
LiPr3
|
hard_negative
| true
| 1
| 0
| 0.14172
| 0.14172
| true
|
[
"li",
"metallic"
] | null |
mp-1185416
|
[
"Li",
"Sb"
] |
[
3,
51,
51,
51
] | 4
| 2
|
[
[
0,
0,
0
],
[
0.5,
0,
0.5
],
[
0,
0.5,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 4.681021213531494,
"b": 4.681021213531494,
"c": 4.681021213531494,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
LiSb3
|
hard_negative
| true
| 1
| 0
| 0.191408
| -0.062544
| true
|
[
"li",
"metallic"
] | null |
mp-1185426
|
[
"Si",
"Lu"
] |
[
71,
71,
71,
14
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 4.54141902923584,
"b": 4.54141902923584,
"c": 4.54141902923584,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Lu3Si
|
hard_negative
| false
| null | 0
| 0.228498
| -0.294823
| true
|
[
"metallic"
] | null |
mp-1185427
|
[
"Al",
"Lu"
] |
[
71,
71,
71,
13
] | 4
| 2
|
[
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0,
0
]
] |
{
"a": 4.62654972076416,
"b": 4.62654972076416,
"c": 4.62654972076416,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
Lu3Al
|
hard_negative
| false
| null | 0
| 0.014231
| -0.22212
| true
|
[
"metallic"
] | null |
mp-1185429
|
[
"Li",
"Tb"
] |
[
3,
65,
65,
65
] | 4
| 2
|
[
[
0,
0,
0
],
[
0,
0.5,
0.5
],
[
0.5,
0,
0.5
],
[
0.5,
0.5,
0
]
] |
{
"a": 4.8928608894348145,
"b": 4.8928608894348145,
"c": 4.8928608894348145,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 221
|
LiTb3
|
hard_negative
| true
| 1
| 0
| 0.188126
| 0.188126
| true
|
[
"li",
"metallic"
] | null |
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