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-1183597
|
[
"Ca",
"Ho"
] |
[
20,
20,
67,
67,
67,
67,
67,
67
] | 8
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
]
] |
{
"a": 5.089320182800293,
"b": 5.089320182800293,
"c": 10.129741668701172,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
CaHo3
|
hard_negative
| false
| null | 0
| 0.140401
| 0.140401
| true
|
[
"metallic"
] | null |
mp-1183620
|
[
"Ca",
"Eu"
] |
[
20,
20,
63,
63,
63,
63,
63,
63
] | 8
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
]
] |
{
"a": 5.558569431304932,
"b": 5.558569431304932,
"c": 11.403435707092285,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
CaEu3
|
hard_negative
| false
| null | 0
| 0.046251
| 0.046251
| true
|
[
"metallic"
] | null |
mp-1183635
|
[
"Pd",
"Cd"
] |
[
48,
48,
48,
48,
48,
48,
46,
46
] | 8
| 2
|
[
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 4.142045974731445,
"b": 4.142045974731445,
"c": 8.70678424835205,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Cd3Pd
|
hard_negative
| false
| null | 0
| 0.020566
| -0.190776
| true
|
[
"metallic"
] | null |
mp-1183641
|
[
"Cd",
"Pt"
] |
[
48,
48,
48,
48,
48,
48,
78,
78
] | 8
| 2
|
[
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 4.152004718780518,
"b": 4.152004718780518,
"c": 8.63135814666748,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Cd3Pt
|
hard_negative
| false
| null | 0
| 0
| -0.157466
| true
|
[
"metallic"
] | null |
mp-1183643
|
[
"Cd",
"Au"
] |
[
48,
48,
79,
79,
79,
79,
79,
79
] | 8
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
]
] |
{
"a": 4.199468612670898,
"b": 4.199468612670898,
"c": 8.216111183166504,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
CdAu3
|
hard_negative
| false
| null | 0
| 0.003912
| -0.150001
| true
|
[
"metallic"
] | null |
mp-1183644
|
[
"Ge",
"Cd"
] |
[
48,
48,
48,
48,
48,
48,
32,
32
] | 8
| 2
|
[
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 4.420693874359131,
"b": 4.420693874359131,
"c": 9.171751976013184,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Cd3Ge
|
hard_negative
| false
| null | 0
| 0.127114
| 0.127114
| true
|
[
"metallic"
] | null |
mp-1183645
|
[
"Cd",
"Ir"
] |
[
48,
48,
48,
48,
48,
48,
77,
77
] | 8
| 2
|
[
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 4.120811939239502,
"b": 4.120811939239502,
"c": 8.817861557006836,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Cd3Ir
|
hard_negative
| false
| null | 0
| 0.144225
| 0.055455
| true
|
[
"metallic"
] | null |
mp-1183646
|
[
"Ga",
"Cd"
] |
[
48,
48,
48,
48,
48,
48,
31,
31
] | 8
| 2
|
[
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 4.381725311279297,
"b": 4.381725311279297,
"c": 8.76039981842041,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Cd3Ga
|
hard_negative
| false
| null | 0
| 0.08189
| 0.08189
| true
|
[
"metallic"
] | null |
mp-1183647
|
[
"Ag",
"Cd"
] |
[
48,
48,
47,
47,
47,
47,
47,
47
] | 8
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
]
] |
{
"a": 4.15366792678833,
"b": 4.15366792678833,
"c": 8.348137855529785,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
CdAg3
|
hard_negative
| false
| null | 0
| 0
| -0.046257
| true
|
[
"metallic"
] | null |
mp-1183649
|
[
"Ge",
"Cd"
] |
[
48,
48,
32,
32,
32,
32,
32,
32
] | 8
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
]
] |
{
"a": 4.229328155517578,
"b": 4.229328155517578,
"c": 9.313455581665039,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
CdGe3
|
hard_negative
| false
| null | 0
| 0.288
| 0.288
| true
|
[
"metallic"
] | null |
mp-1183650
|
[
"Cd",
"Hg"
] |
[
48,
48,
80,
80,
80,
80,
80,
80
] | 8
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
]
] |
{
"a": 4.318600177764893,
"b": 4.318600177764893,
"c": 10.736398696899414,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
CdHg3
|
hard_negative
| false
| null | 0
| 0.037579
| 0.037579
| true
|
[
"metallic"
] | null |
mp-1183651
|
[
"Cd",
"Te"
] |
[
48,
48,
48,
48,
48,
48,
52,
52
] | 8
| 2
|
[
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 4.525268077850342,
"b": 4.525268077850342,
"c": 10.228256225585938,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Cd3Te
|
hard_negative
| false
| null | 0
| 0.309387
| 0.029017
| true
|
[
"metallic"
] | null |
mp-1183657
|
[
"Cd",
"Bi"
] |
[
48,
48,
83,
83,
83,
83,
83,
83
] | 8
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
]
] |
{
"a": 5.073622226715088,
"b": 5.073622226715088,
"c": 9.450655937194824,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
CdBi3
|
hard_negative
| false
| null | 0
| 0.107835
| 0.107835
| true
|
[
"metallic"
] | null |
mp-1183658
|
[
"Cd",
"Bi"
] |
[
48,
48,
48,
48,
48,
48,
83,
83
] | 8
| 2
|
[
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 4.62557315826416,
"b": 4.62557315826416,
"c": 9.35885238647461,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Cd3Bi
|
hard_negative
| false
| null | 0
| 0.10372
| 0.10372
| true
|
[
"metallic"
] | null |
mp-1183660
|
[
"Cd",
"Pb"
] |
[
48,
48,
82,
82,
82,
82,
82,
82
] | 8
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
]
] |
{
"a": 4.797773838043213,
"b": 4.797773838043213,
"c": 10.180089950561523,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
CdPb3
|
hard_negative
| false
| null | 0
| 0.056478
| 0.056478
| true
|
[
"metallic"
] | null |
mp-1183665
|
[
"Se",
"Cd"
] |
[
48,
48,
48,
48,
48,
48,
34,
34
] | 8
| 2
|
[
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 4.081905841827393,
"b": 4.081905841827393,
"c": 12.17416000366211,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Cd3Se
|
hard_negative
| false
| null | 0
| 0.27721
| -0.141593
| true
|
[
"metallic"
] | null |
mp-1183699
|
[
"Co",
"Te"
] |
[
27,
27,
27,
27,
27,
27,
52,
52
] | 8
| 2
|
[
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 3.75232195854187,
"b": 3.75232195854187,
"c": 7.32410192489624,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Co3Te
|
hard_negative
| false
| null | 0
| 0.29497
| 0.22564
| true
|
[
"metallic"
] | null |
mp-1183700
|
[
"Cr",
"As"
] |
[
24,
24,
24,
24,
24,
24,
33,
33
] | 8
| 2
|
[
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 3.4714419841766357,
"b": 3.4714419841766357,
"c": 8.181300163269043,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Cr3As
|
hard_negative
| false
| null | 0
| 0.210482
| 0.117676
| true
|
[
"metallic"
] | null |
mp-1183713
|
[
"H",
"Ce"
] |
[
58,
58,
1,
1,
1,
1,
1,
1
] | 8
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
]
] |
{
"a": 3.6296939849853516,
"b": 3.6296939849853516,
"c": 6.048947811126709,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
CeH3
|
hard_negative
| false
| null | 0
| 0.003062
| -0.621531
| true
|
[
"metallic"
] | null |
mp-1183714
|
[
"Co",
"I"
] |
[
27,
27,
27,
27,
27,
27,
53,
53
] | 8
| 2
|
[
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 3.8055620193481445,
"b": 3.8055620193481445,
"c": 7.481688022613525,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Co3I
|
hard_negative
| false
| null | 0
| 0.752055
| 0.661423
| true
|
[
"halide",
"metallic"
] | null |
mp-1183718
|
[
"Co",
"Os"
] |
[
27,
27,
27,
27,
27,
27,
76,
76
] | 8
| 2
|
[
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 3.575916051864624,
"b": 3.575916051864624,
"c": 7.129737854003906,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Co3Os
|
hard_negative
| false
| null | 0
| 0.12293
| 0.12293
| true
|
[
"metallic"
] | null |
mp-1183720
|
[
"Cd",
"Sn"
] |
[
48,
48,
50,
50,
50,
50,
50,
50
] | 8
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
]
] |
{
"a": 4.4988203048706055,
"b": 4.4988203048706055,
"c": 10.41784954071045,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
CdSn3
|
hard_negative
| false
| null | 0
| 0.203495
| 0.203495
| true
|
[
"metallic"
] | null |
mp-1183721
|
[
"Cr",
"Ag"
] |
[
24,
24,
47,
47,
47,
47,
47,
47
] | 8
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
]
] |
{
"a": 4.129395961761475,
"b": 4.129395961761475,
"c": 8.298412322998047,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
CrAg3
|
hard_negative
| false
| null | 0
| 0.268015
| 0.268015
| true
|
[
"metallic"
] | null |
mp-1183723
|
[
"H",
"Cr"
] |
[
24,
24,
24,
24,
24,
24,
1,
1
] | 8
| 2
|
[
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 3.1888720989227295,
"b": 3.1888720989227295,
"c": 7.980495929718018,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Cr3H
|
hard_negative
| false
| null | 0
| 0.757946
| 0.757946
| true
|
[
"metallic"
] | null |
mp-1183746
|
[
"Ce",
"Hg"
] |
[
58,
58,
58,
58,
58,
58,
80,
80
] | 8
| 2
|
[
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 4.764560699462891,
"b": 4.764560699462891,
"c": 9.784934043884277,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Ce3Hg
|
hard_negative
| false
| null | 0
| 0.049507
| -0.184466
| true
|
[
"metallic"
] | null |
mp-1183748
|
[
"Cd",
"Ce"
] |
[
58,
58,
58,
58,
58,
58,
48,
48
] | 8
| 2
|
[
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 4.749589920043945,
"b": 4.749589920043945,
"c": 9.77790641784668,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Ce3Cd
|
hard_negative
| false
| null | 0
| 0.07073
| -0.053613
| true
|
[
"metallic"
] | null |
mp-1183752
|
[
"Co",
"Cu"
] |
[
27,
27,
27,
27,
27,
27,
29,
29
] | 8
| 2
|
[
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 3.54219388961792,
"b": 3.54219388961792,
"c": 7.096459865570068,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Co3Cu
|
hard_negative
| false
| null | 0
| 0.118587
| 0.118587
| true
|
[
"metallic"
] | null |
mp-1183782
|
[
"Ce",
"Sm"
] |
[
58,
58,
58,
58,
58,
58,
62,
62
] | 8
| 2
|
[
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 4.830287933349609,
"b": 4.830287933349609,
"c": 9.828561782836914,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Ce3Sm
|
hard_negative
| false
| null | 0
| 0.097013
| 0.097013
| true
|
[
"metallic"
] | null |
mp-1183787
|
[
"Ce",
"Er"
] |
[
58,
58,
68,
68,
68,
68,
68,
68
] | 8
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
]
] |
{
"a": 4.992437839508057,
"b": 4.992437839508057,
"c": 9.940903663635254,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
CeEr3
|
hard_negative
| false
| null | 0
| 0.082262
| 0.082262
| true
|
[
"metallic"
] | null |
mp-1183813
|
[
"Ce",
"Tm"
] |
[
58,
58,
69,
69,
69,
69,
69,
69
] | 8
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
]
] |
{
"a": 4.9395341873168945,
"b": 4.9395341873168945,
"c": 9.826111793518066,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
CeTm3
|
hard_negative
| false
| null | 0
| 0.083289
| 0.083289
| true
|
[
"metallic"
] | null |
mp-1183815
|
[
"Ag",
"Dy"
] |
[
66,
66,
47,
47,
47,
47,
47,
47
] | 8
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
]
] |
{
"a": 4.395350933074951,
"b": 4.395350933074951,
"c": 8.278352737426758,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
DyAg3
|
hard_negative
| false
| null | 0
| 0.037967
| -0.219989
| true
|
[
"metallic"
] | null |
mp-1183824
|
[
"Ce",
"Th"
] |
[
58,
58,
58,
58,
58,
58,
90,
90
] | 8
| 2
|
[
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 4.811032295227051,
"b": 4.811032295227051,
"c": 9.536334037780762,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Ce3Th
|
hard_negative
| false
| null | 0
| 0.025644
| 0.025644
| true
|
[
"metallic"
] | null |
mp-1183825
|
[
"Zr",
"Dy"
] |
[
66,
66,
66,
66,
66,
66,
40,
40
] | 8
| 2
|
[
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 4.877734184265137,
"b": 4.877734184265137,
"c": 9.722213745117188,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Dy3Zr
|
hard_negative
| false
| null | 0
| 0.095259
| 0.095259
| true
|
[
"metallic"
] | null |
mp-1183827
|
[
"Ce",
"Hf"
] |
[
58,
58,
58,
58,
58,
58,
72,
72
] | 8
| 2
|
[
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 4.689591884613037,
"b": 4.689591884613037,
"c": 9.397706031799316,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Ce3Hf
|
hard_negative
| false
| null | 0
| 0.101862
| 0.101862
| true
|
[
"metallic"
] | null |
mp-1183838
|
[
"Ce",
"Ho"
] |
[
58,
58,
58,
58,
58,
58,
67,
67
] | 8
| 2
|
[
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 4.784542083740234,
"b": 4.784542083740234,
"c": 9.724592208862305,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Ce3Ho
|
hard_negative
| false
| null | 0
| 0.094298
| 0.094298
| true
|
[
"metallic"
] | null |
mp-1183841
|
[
"Dy",
"Ho"
] |
[
66,
66,
67,
67,
67,
67,
67,
67
] | 8
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
]
] |
{
"a": 4.99385929107666,
"b": 4.99385929107666,
"c": 9.990583419799805,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
DyHo3
|
hard_negative
| false
| null | 0
| 0.051924
| 0.044573
| true
|
[
"metallic"
] | null |
mp-1183850
|
[
"Ce",
"Bi"
] |
[
58,
58,
83,
83,
83,
83,
83,
83
] | 8
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
]
] |
{
"a": 4.676557540893555,
"b": 4.676557540893555,
"c": 11.279780387878418,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
CeBi3
|
hard_negative
| false
| null | 0
| 0.0844
| -0.498606
| true
|
[
"metallic"
] | null |
mp-1183854
|
[
"Ce",
"Pm"
] |
[
58,
58,
61,
61,
61,
61,
61,
61
] | 8
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
]
] |
{
"a": 5.146852016448975,
"b": 5.146852016448975,
"c": 10.385614395141602,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
CePm3
|
hard_negative
| false
| null | 0
| 0.083576
| 0.083576
| true
|
[
"metallic"
] | null |
mp-1183858
|
[
"S",
"Ce"
] |
[
58,
58,
16,
16,
16,
16,
16,
16
] | 8
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
]
] |
{
"a": 3.932634115219116,
"b": 3.932634115219116,
"c": 9.874897956848145,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
CeS3
|
hard_negative
| false
| null | 0
| 0.216222
| -1.320859
| true
|
[
"sulfide",
"metallic"
] | null |
mp-1183868
|
[
"Cr",
"Ce"
] |
[
58,
58,
58,
58,
58,
58,
24,
24
] | 8
| 2
|
[
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 4.183643817901611,
"b": 4.183643817901611,
"c": 10.004172325134277,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Ce3Cr
|
hard_negative
| false
| null | 0
| 0.324236
| 0.324236
| true
|
[
"metallic"
] | null |
mp-1183869
|
[
"Dy",
"Np"
] |
[
66,
66,
93,
93,
93,
93,
93,
93
] | 8
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
]
] |
{
"a": 4.534825801849365,
"b": 4.534825801849365,
"c": 9.193384170532227,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
DyNp3
|
hard_negative
| false
| null | 0
| 0.693414
| 0.693414
| true
|
[
"metallic"
] | null |
mp-1183872
|
[
"Cu",
"Ce"
] |
[
58,
58,
58,
58,
58,
58,
29,
29
] | 8
| 2
|
[
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 4.459733963012695,
"b": 4.459733963012695,
"c": 9.386070251464844,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Ce3Cu
|
hard_negative
| false
| null | 0
| 0.166214
| 0.124653
| true
|
[
"metallic"
] | null |
mp-1183875
|
[
"Ce",
"Pr"
] |
[
58,
58,
59,
59,
59,
59,
59,
59
] | 8
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
]
] |
{
"a": 5.308403968811035,
"b": 5.308403968811035,
"c": 10.687585830688477,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
CePr3
|
hard_negative
| false
| null | 0
| 0.100168
| 0.100168
| true
|
[
"metallic"
] | null |
mp-1183910
|
[
"Dy",
"Pu"
] |
[
66,
66,
94,
94,
94,
94,
94,
94
] | 8
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
]
] |
{
"a": 4.831046104431152,
"b": 4.831046104431152,
"c": 9.684718132019043,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
DyPu3
|
hard_negative
| false
| null | 0
| 0.189429
| 0.189429
| true
|
[
"metallic"
] | null |
mp-1183912
|
[
"Ce",
"Eu"
] |
[
58,
58,
58,
58,
58,
58,
63,
63
] | 8
| 2
|
[
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 4.82560396194458,
"b": 4.82560396194458,
"c": 9.802528381347656,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Ce3Eu
|
hard_negative
| false
| null | 0
| 0.207938
| 0.207938
| true
|
[
"metallic"
] | null |
mp-1183941
|
[
"Mg",
"Ce"
] |
[
58,
58,
58,
58,
12,
12
] | 6
| 2
|
[
[
0.5,
0.5,
0.16475600004196167
],
[
0,
0,
0.33524399995803833
],
[
0,
0,
0.6647560000419617
],
[
0.5,
0.5,
0.8352439999580383
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 3.6950619220733643,
"b": 3.6950619220733643,
"c": 12.5462064743042,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Ce2Mg
|
hard_negative
| false
| null | 0
| 0.142098
| 0.117836
| true
|
[
"metallic"
] | null |
mp-1183944
|
[
"Cs",
"Nd"
] |
[
55,
55,
60,
60,
60,
60,
60,
60
] | 8
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
]
] |
{
"a": 5.444784164428711,
"b": 5.444784164428711,
"c": 10.811152458190918,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
CsNd3
|
hard_negative
| false
| null | 0
| 0.560116
| 0.560116
| true
|
[
"metallic"
] | null |
mp-1183946
|
[
"Cs",
"Pr"
] |
[
55,
55,
59,
59,
59,
59,
59,
59
] | 8
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
]
] |
{
"a": 5.460686206817627,
"b": 5.460686206817627,
"c": 10.87685775756836,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
CsPr3
|
hard_negative
| false
| null | 0
| 0.537904
| 0.537904
| true
|
[
"metallic"
] | null |
mp-1183949
|
[
"Cs",
"La"
] |
[
55,
55,
57,
57,
57,
57,
57,
57
] | 8
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
]
] |
{
"a": 5.48308801651001,
"b": 5.48308801651001,
"c": 11.006908416748047,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
CsLa3
|
hard_negative
| false
| null | 0
| 0.520408
| 0.520408
| true
|
[
"metallic"
] | null |
mp-1183954
|
[
"Cs",
"Ba"
] |
[
55,
55,
56,
56,
56,
56,
56,
56
] | 8
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
]
] |
{
"a": 6.492941856384277,
"b": 6.492941856384277,
"c": 13.606765747070312,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
CsBa3
|
hard_negative
| false
| null | 0
| 0.159149
| 0.159149
| true
|
[
"metallic"
] | null |
mp-1183958
|
[
"K",
"Cs"
] |
[
55,
55,
19,
19,
19,
19,
19,
19
] | 8
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
]
] |
{
"a": 7.024330139160156,
"b": 7.024330139160156,
"c": 14.127172470092773,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
CsK3
|
hard_negative
| false
| null | 0
| 0.018994
| 0.018994
| true
|
[
"metallic"
] | null |
mp-1183993
|
[
"H",
"Ga"
] |
[
31,
31,
1,
1,
1,
1,
1,
1
] | 8
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
]
] |
{
"a": 2.8675060272216797,
"b": 2.8675060272216797,
"c": 6.47600793838501,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
GaH3
|
hard_negative
| false
| null | 0
| 0.601484
| 0.601484
| true
|
[
"metallic"
] | null |
mp-1183998
|
[
"Ga",
"Tc"
] |
[
31,
31,
31,
31,
31,
31,
43,
43
] | 8
| 2
|
[
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 3.7912909984588623,
"b": 3.7912909984588623,
"c": 8.091495513916016,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Ga3Tc
|
hard_negative
| false
| null | 0
| 0
| -0.060789
| true
|
[
"metallic"
] | null |
mp-1184001
|
[
"Cu",
"Ga"
] |
[
31,
31,
29,
29,
29,
29,
29,
29
] | 8
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
]
] |
{
"a": 3.6333770751953125,
"b": 3.6333770751953125,
"c": 7.358022212982178,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
GaCu3
|
hard_negative
| false
| null | 0
| 0.006046
| -0.09812
| true
|
[
"metallic"
] | null |
mp-1184006
|
[
"Co",
"Ga"
] |
[
31,
31,
27,
27,
27,
27,
27,
27
] | 8
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
]
] |
{
"a": 3.5989880561828613,
"b": 3.5989880561828613,
"c": 6.896870136260986,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
GaCo3
|
hard_negative
| false
| null | 0
| 0.061544
| -0.036259
| true
|
[
"metallic"
] | null |
mp-1184010
|
[
"Ga",
"Te"
] |
[
31,
31,
31,
31,
31,
31,
52,
52
] | 8
| 2
|
[
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 4.365116119384766,
"b": 4.365116119384766,
"c": 9.98384952545166,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Ga3Te
|
hard_negative
| false
| null | 0
| 0.191444
| -0.030053
| true
|
[
"metallic"
] | null |
mp-1184011
|
[
"Cu",
"Ag"
] |
[
29,
29,
29,
29,
29,
29,
47,
47
] | 8
| 2
|
[
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 3.7728281021118164,
"b": 3.7728281021118164,
"c": 7.534051895141602,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Cu3Ag
|
hard_negative
| false
| null | 0
| 0.090375
| 0.090375
| true
|
[
"metallic"
] | null |
mp-1184013
|
[
"Ga",
"Hg"
] |
[
31,
31,
80,
80,
80,
80,
80,
80
] | 8
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
]
] |
{
"a": 4.528580188751221,
"b": 4.528580188751221,
"c": 9.987589836120605,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
GaHg3
|
hard_negative
| false
| null | 0
| 0.066585
| 0.066585
| true
|
[
"metallic"
] | null |
mp-1184014
|
[
"Ga",
"Pb"
] |
[
31,
31,
82,
82,
82,
82,
82,
82
] | 8
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
]
] |
{
"a": 4.77707052230835,
"b": 4.77707052230835,
"c": 9.979418754577637,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
GaPb3
|
hard_negative
| false
| null | 0
| 0.103293
| 0.103293
| true
|
[
"metallic"
] | null |
mp-1184016
|
[
"Rb",
"Cs"
] |
[
55,
55,
37,
37,
37,
37,
37,
37
] | 8
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
]
] |
{
"a": 7.402530193328857,
"b": 7.402530193328857,
"c": 14.835379600524902,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
CsRb3
|
hard_negative
| false
| null | 0
| 0.045421
| 0.045421
| true
|
[
"metallic"
] | null |
mp-1184018
|
[
"Cu",
"Au"
] |
[
29,
29,
79,
79,
79,
79,
79,
79
] | 8
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
]
] |
{
"a": 3.981255531311035,
"b": 3.981255531311035,
"c": 8.164198875427246,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
CuAu3
|
hard_negative
| false
| null | 0
| 0.011761
| -0.012308
| true
|
[
"metallic"
] | null |
mp-1184019
|
[
"Cs",
"Yb"
] |
[
55,
55,
70,
70,
70,
70,
70,
70
] | 8
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
]
] |
{
"a": 5.344407558441162,
"b": 5.344407558441162,
"c": 10.116528511047363,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
CsYb3
|
hard_negative
| false
| null | 0
| 0.761831
| 0.761831
| true
|
[
"metallic"
] | null |
mp-1184028
|
[
"Cu",
"Rh"
] |
[
29,
29,
29,
29,
29,
29,
45,
45
] | 8
| 2
|
[
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 3.674774408340454,
"b": 3.674774408340454,
"c": 7.201255798339844,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Cu3Rh
|
hard_negative
| false
| null | 0
| 0.038867
| 0.038867
| true
|
[
"metallic"
] | null |
mp-1184031
|
[
"Ga",
"Sn"
] |
[
31,
31,
31,
31,
31,
31,
50,
50
] | 8
| 2
|
[
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 4.5563764572143555,
"b": 4.5563764572143555,
"c": 7.933965682983398,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Ga3Sn
|
hard_negative
| false
| null | 0
| 0.19348
| 0.19348
| true
|
[
"metallic"
] | null |
mp-1184034
|
[
"Ni",
"Ga"
] |
[
31,
31,
28,
28,
28,
28,
28,
28
] | 8
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
]
] |
{
"a": 3.6452324390411377,
"b": 3.6452324390411377,
"c": 6.657340049743652,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
GaNi3
|
hard_negative
| false
| null | 0
| 0.033541
| -0.245426
| true
|
[
"metallic"
] | null |
mp-1184035
|
[
"Sr",
"Cs"
] |
[
55,
55,
38,
38,
38,
38,
38,
38
] | 8
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
]
] |
{
"a": 6.3693718910217285,
"b": 6.3693718910217285,
"c": 12.438353538513184,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
CsSr3
|
hard_negative
| false
| null | 0
| 0.165557
| 0.165557
| true
|
[
"metallic"
] | null |
mp-1184054
|
[
"Ni",
"Cu"
] |
[
29,
29,
28,
28,
28,
28,
28,
28
] | 8
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
]
] |
{
"a": 3.5124237537384033,
"b": 3.5124237537384033,
"c": 6.938357353210449,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
CuNi3
|
hard_negative
| false
| null | 0
| 0.04302
| 0.04302
| true
|
[
"metallic"
] | null |
mp-1184119
|
[
"Cu",
"Pd"
] |
[
29,
29,
46,
46,
46,
46,
46,
46
] | 8
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
]
] |
{
"a": 3.810638189315796,
"b": 3.810638189315796,
"c": 7.82435941696167,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
CuPd3
|
hard_negative
| false
| null | 0
| 0.010751
| -0.050925
| true
|
[
"metallic"
] | null |
mp-1184121
|
[
"Cu",
"Ru"
] |
[
29,
29,
44,
44,
44,
44,
44,
44
] | 8
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
]
] |
{
"a": 3.718698024749756,
"b": 3.718698024749756,
"c": 7.8509521484375,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
CuRu3
|
hard_negative
| false
| null | 0
| 0.274873
| 0.274873
| true
|
[
"metallic"
] | null |
mp-1184132
|
[
"Cu",
"Sn"
] |
[
29,
29,
50,
50,
50,
50,
50,
50
] | 8
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
]
] |
{
"a": 4.479805946350098,
"b": 4.479805946350098,
"c": 9.741408348083496,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
CuSn3
|
hard_negative
| false
| null | 0
| 0.24576
| 0.24576
| true
|
[
"metallic"
] | null |
mp-1184133
|
[
"As",
"Dy"
] |
[
66,
66,
66,
66,
66,
66,
33,
33
] | 8
| 2
|
[
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 4.491742134094238,
"b": 4.491742134094238,
"c": 10.28668212890625,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Dy3As
|
hard_negative
| false
| null | 0
| 0.361531
| -0.543759
| true
|
[
"metallic"
] | null |
mp-1184141
|
[
"Dy",
"Lu"
] |
[
66,
66,
66,
66,
66,
66,
71,
71
] | 8
| 2
|
[
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 4.983186721801758,
"b": 4.983186721801758,
"c": 9.977529525756836,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Dy3Lu
|
hard_negative
| false
| null | 0
| 0.046312
| 0.046312
| true
|
[
"metallic"
] | null |
mp-1184142
|
[
"Dy",
"U"
] |
[
66,
66,
92,
92,
92,
92,
92,
92
] | 8
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
]
] |
{
"a": 4.3921217918396,
"b": 4.3921217918396,
"c": 9.513957977294922,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
DyU3
|
hard_negative
| false
| null | 0
| 0.536941
| 0.536941
| true
|
[
"metallic"
] | null |
mp-1184177
|
[
"Sn",
"Er"
] |
[
68,
68,
68,
68,
68,
68,
50,
50
] | 8
| 2
|
[
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 4.638778209686279,
"b": 4.638778209686279,
"c": 10.255414009094238,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Er3Sn
|
hard_negative
| false
| null | 0
| 0.09202
| -0.380369
| true
|
[
"metallic"
] | null |
mp-1184178
|
[
"Er",
"Pb"
] |
[
68,
68,
68,
68,
68,
68,
82,
82
] | 8
| 2
|
[
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 4.6047515869140625,
"b": 4.6047515869140625,
"c": 10.559003829956055,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Er3Pb
|
hard_negative
| false
| null | 0
| 0.092066
| -0.249735
| true
|
[
"metallic"
] | null |
mp-1184179
|
[
"P",
"Er"
] |
[
68,
68,
68,
68,
68,
68,
15,
15
] | 8
| 2
|
[
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 4.3705058097839355,
"b": 4.3705058097839355,
"c": 10.121746063232422,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Er3P
|
hard_negative
| false
| null | 0
| 0.480102
| -0.440993
| true
|
[
"metallic"
] | null |
mp-1184183
|
[
"Cu",
"Ge"
] |
[
29,
29,
32,
32,
32,
32,
32,
32
] | 8
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
]
] |
{
"a": 3.9980859756469727,
"b": 3.9980859756469727,
"c": 8.704536437988281,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
CuGe3
|
hard_negative
| false
| null | 0
| 0.32485
| 0.32485
| true
|
[
"metallic"
] | null |
mp-1184185
|
[
"Cu",
"Pb"
] |
[
29,
29,
82,
82,
82,
82,
82,
82
] | 8
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
]
] |
{
"a": 4.809063911437988,
"b": 4.809063911437988,
"c": 9.21111011505127,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
CuPb3
|
hard_negative
| false
| null | 0
| 0.260977
| 0.260977
| true
|
[
"metallic"
] | null |
mp-1184186
|
[
"Ge",
"Er"
] |
[
68,
68,
68,
68,
68,
68,
32,
32
] | 8
| 2
|
[
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 4.4668498039245605,
"b": 4.4668498039245605,
"c": 10.188963890075684,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Er3Ge
|
hard_negative
| false
| null | 0
| 0.241462
| -0.293509
| true
|
[
"metallic"
] | null |
mp-1184198
|
[
"Nb",
"Eu"
] |
[
63,
63,
63,
63,
63,
63,
41,
41
] | 8
| 2
|
[
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 5.533205032348633,
"b": 5.533205032348633,
"c": 8.836076736450195,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Eu3Nb
|
hard_negative
| false
| null | 0
| 0.550064
| 0.550064
| true
|
[
"metallic"
] | null |
mp-1184252
|
[
"Si",
"Ga"
] |
[
31,
31,
14,
14,
14,
14,
14,
14
] | 8
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
]
] |
{
"a": 3.7114219665527344,
"b": 3.7114219665527344,
"c": 9.240367889404297,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
GaSi3
|
hard_negative
| false
| null | 0
| 0.514814
| 0.514814
| true
|
[
"metallic"
] | null |
mp-1184257
|
[
"Ga",
"Ag"
] |
[
31,
31,
31,
31,
31,
31,
47,
47
] | 8
| 2
|
[
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 4.137997150421143,
"b": 4.137997150421143,
"c": 8.17755126953125,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Ga3Ag
|
hard_negative
| false
| null | 0
| 0.136595
| 0.128973
| true
|
[
"metallic"
] | null |
mp-1184258
|
[
"Ga",
"Sb"
] |
[
31,
31,
31,
31,
31,
31,
51,
51
] | 8
| 2
|
[
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 4.31759786605835,
"b": 4.31759786605835,
"c": 9.520968437194824,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Ga3Sb
|
hard_negative
| false
| null | 0
| 0.146836
| 0.0322
| true
|
[
"metallic"
] | null |
mp-1184265
|
[
"Ga",
"Rh"
] |
[
31,
31,
45,
45,
45,
45,
45,
45
] | 8
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
]
] |
{
"a": 3.853644371032715,
"b": 3.853644371032715,
"c": 7.430945873260498,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
GaRh3
|
hard_negative
| false
| null | 0
| 0.019764
| -0.320216
| true
|
[
"metallic"
] | null |
mp-1184266
|
[
"Ga",
"Sn"
] |
[
31,
31,
50,
50,
50,
50,
50,
50
] | 8
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
]
] |
{
"a": 4.5448079109191895,
"b": 4.5448079109191895,
"c": 9.821468353271484,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
GaSn3
|
hard_negative
| false
| null | 0
| 0.229721
| 0.229721
| true
|
[
"metallic"
] | null |
mp-1184268
|
[
"Ga",
"Hg"
] |
[
31,
31,
31,
31,
31,
31,
80,
80
] | 8
| 2
|
[
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 4.242732048034668,
"b": 4.242732048034668,
"c": 9.28813362121582,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Ga3Hg
|
hard_negative
| false
| null | 0
| 0.075004
| 0.075004
| true
|
[
"metallic"
] | null |
mp-1184272
|
[
"Fe",
"Au"
] |
[
26,
26,
26,
26,
26,
26,
79,
79
] | 8
| 2
|
[
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 3.752326011657715,
"b": 3.752326011657715,
"c": 7.707602024078369,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Fe3Au
|
hard_negative
| false
| null | 0
| 0.141915
| 0.141915
| true
|
[
"metallic"
] | null |
mp-1184287
|
[
"H",
"Fe"
] |
[
26,
26,
26,
26,
26,
26,
1,
1
] | 8
| 2
|
[
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 3.4805760383605957,
"b": 3.4805760383605957,
"c": 6.3586578369140625,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Fe3H
|
hard_negative
| false
| null | 0
| 0.602785
| 0.569158
| true
|
[
"metallic"
] | null |
mp-1184292
|
[
"P",
"Ga"
] |
[
31,
31,
31,
31,
31,
31,
15,
15
] | 8
| 2
|
[
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 3.7660739421844482,
"b": 3.7660739421844482,
"c": 10.386119842529297,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Ga3P
|
hard_negative
| false
| null | 0
| 0.347923
| 0.093465
| true
|
[
"metallic"
] | null |
mp-1184296
|
[
"Ga",
"Au"
] |
[
31,
31,
31,
31,
31,
31,
79,
79
] | 8
| 2
|
[
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 4.2369160652160645,
"b": 4.2369160652160645,
"c": 8.211644172668457,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Ga3Au
|
hard_negative
| false
| null | 0
| 0.13837
| -0.036476
| true
|
[
"metallic"
] | null |
mp-1184311
|
[
"Fe",
"Cu"
] |
[
26,
26,
26,
26,
26,
26,
29,
29
] | 8
| 2
|
[
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 3.620147943496704,
"b": 3.620147943496704,
"c": 7.212125778198242,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Fe3Cu
|
hard_negative
| false
| null | 0
| 0.132275
| 0.132275
| true
|
[
"metallic"
] | null |
mp-1184315
|
[
"S",
"Eu"
] |
[
63,
63,
16,
16,
16,
16,
16,
16
] | 8
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
]
] |
{
"a": 3.916461944580078,
"b": 3.916461944580078,
"c": 10.132072448730469,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
EuS3
|
hard_negative
| false
| null | 0
| 0.297106
| -0.95179
| true
|
[
"sulfide",
"metallic"
] | null |
mp-1184326
|
[
"Eu",
"Hf"
] |
[
63,
63,
63,
63,
63,
63,
72,
72
] | 8
| 2
|
[
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0,
0.5,
0.25
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0.5,
0,
0.75
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 5.164968013763428,
"b": 5.164968013763428,
"c": 10.280872344970703,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Eu3Hf
|
hard_negative
| false
| null | 0
| 0.376325
| 0.376325
| true
|
[
"metallic"
] | null |
mp-1184327
|
[
"V",
"Eu"
] |
[
63,
63,
63,
63,
63,
63,
23,
23
] | 8
| 2
|
[
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 5.2446818351745605,
"b": 5.2446818351745605,
"c": 9.714280128479004,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Eu3V
|
hard_negative
| false
| null | 0
| 0.492048
| 0.492048
| true
|
[
"metallic"
] | null |
mp-1184336
|
[
"Fe",
"Ir"
] |
[
26,
26,
77,
77,
77,
77,
77,
77
] | 8
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
]
] |
{
"a": 3.816906690597534,
"b": 3.816906690597534,
"c": 7.605393886566162,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
FeIr3
|
hard_negative
| false
| null | 0
| 0
| -0.073084
| true
|
[
"metallic"
] | null |
mp-1184338
|
[
"Ti",
"Eu"
] |
[
63,
63,
63,
63,
63,
63,
22,
22
] | 8
| 2
|
[
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 5.153897762298584,
"b": 5.153897762298584,
"c": 10.369206428527832,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Eu3Ti
|
hard_negative
| false
| null | 0
| 0.377471
| 0.377471
| true
|
[
"metallic"
] | null |
mp-1184357
|
[
"Ag",
"Eu"
] |
[
63,
63,
47,
47,
47,
47,
47,
47
] | 8
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
]
] |
{
"a": 5.012834072113037,
"b": 5.012834072113037,
"c": 7.451933860778809,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
EuAg3
|
hard_negative
| false
| null | 0
| 0.090999
| -0.149976
| true
|
[
"metallic"
] | null |
mp-1184375
|
[
"Eu",
"Au"
] |
[
63,
63,
79,
79,
79,
79,
79,
79
] | 8
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
]
] |
{
"a": 4.79603385925293,
"b": 4.79603385925293,
"c": 7.684939861297607,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
EuAu3
|
hard_negative
| false
| null | 0
| 0.05855
| -0.528311
| true
|
[
"metallic"
] | null |
mp-1184395
|
[
"Zr",
"Eu"
] |
[
63,
63,
63,
63,
63,
63,
40,
40
] | 8
| 2
|
[
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 5.195342063903809,
"b": 5.195342063903809,
"c": 10.185277938842773,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Eu3Zr
|
hard_negative
| false
| null | 0
| 0.317204
| 0.317204
| true
|
[
"metallic"
] | null |
mp-1184397
|
[
"Tc",
"Eu"
] |
[
63,
63,
63,
63,
63,
63,
43,
43
] | 8
| 2
|
[
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0,
0,
0.5
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0.5,
0.5,
0
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 4.938240051269531,
"b": 4.938240051269531,
"c": 9.383576393127441,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Eu3Tc
|
hard_negative
| false
| null | 0
| 0.437782
| 0.437782
| true
|
[
"metallic"
] | null |
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