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-1186989
|
[
"Sc",
"Os"
] |
[
21,
21,
76,
76,
76,
76,
76,
76
] | 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": 3.929950475692749,
"b": 3.929950475692749,
"c": 8.04358196258545,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
ScOs3
|
hard_negative
| false
| null | 0
| 0.389407
| 0.104345
| true
|
[
"metallic"
] | null |
mp-1186990
|
[
"Sc",
"Pb"
] |
[
21,
21,
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": 4.534599781036377,
"b": 4.534599781036377,
"c": 11.049369812011719,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
ScPb3
|
hard_negative
| false
| null | 0
| 0.100098
| -0.155656
| true
|
[
"metallic"
] | null |
mp-1187004
|
[
"Si",
"Ge"
] |
[
14,
14,
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": 3.977303981781006,
"b": 3.977303981781006,
"c": 9.386940002441406,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
SiGe3
|
hard_negative
| false
| null | 0
| 0.421128
| 0.421128
| true
|
[
"metallic"
] | null |
mp-1187007
|
[
"Si",
"Pb"
] |
[
14,
14,
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": 4.8134260177612305,
"b": 4.8134260177612305,
"c": 9.769140243530273,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
SiPb3
|
hard_negative
| false
| null | 0
| 0.335267
| 0.335267
| true
|
[
"metallic"
] | null |
mp-1187010
|
[
"Cd",
"Sm"
] |
[
62,
62,
62,
62,
62,
62,
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": 4.902723789215088,
"b": 4.902723789215088,
"c": 9.977115631103516,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Sm3Cd
|
hard_negative
| false
| null | 0
| 0.069292
| -0.081156
| true
|
[
"metallic"
] | null |
mp-1187019
|
[
"Se",
"Br"
] |
[
34,
34,
34,
34,
34,
34,
35,
35
] | 8
| 2
|
[
[
0.5,
0,
0.25
],
[
0,
0.5,
0.25
],
[
0.5,
0.5,
0
],
[
0,
0.5,
0.75
],
[
0.5,
0,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 3.8024840354919434,
"b": 3.8024840354919434,
"c": 16.96380043029785,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Se3Br
|
hard_negative
| false
| null | 0
| 0.001964
| -0.20746
| true
|
[
"halide",
"metallic"
] | null |
mp-1187030
|
[
"Ge",
"Sn"
] |
[
50,
50,
50,
50,
50,
50,
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": 4.601769924163818,
"b": 4.601769924163818,
"c": 9.766812324523926,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Sn3Ge
|
hard_negative
| false
| null | 0
| 0.163537
| 0.163537
| true
|
[
"metallic"
] | null |
mp-1187032
|
[
"B",
"Sn"
] |
[
50,
50,
50,
50,
50,
50,
5,
5
] | 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": 4.472708225250244,
"b": 4.472708225250244,
"c": 9.364534378051758,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Sn3B
|
hard_negative
| false
| null | 0
| 0.921081
| 0.921081
| true
|
[
"metallic"
] | null |
mp-1187045
|
[
"Mo",
"Sn"
] |
[
50,
50,
50,
50,
50,
50,
42,
42
] | 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": 4.499638080596924,
"b": 4.499638080596924,
"c": 8.853568077087402,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Sn3Mo
|
hard_negative
| false
| null | 0
| 0.53992
| 0.53992
| true
|
[
"metallic"
] | null |
mp-1187054
|
[
"Mg",
"Th"
] |
[
90,
90,
90,
90,
90,
90,
12,
12
] | 8
| 2
|
[
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 4.927691459655762,
"b": 4.927691459655762,
"c": 10.084108352661133,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Th3Mg
|
hard_negative
| false
| null | 0
| 0.066296
| 0.066296
| true
|
[
"metallic"
] | null |
mp-1187057
|
[
"Rh",
"Th"
] |
[
90,
90,
90,
90,
90,
90,
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": 4.516561985015869,
"b": 4.516561985015869,
"c": 10.611592292785645,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Th3Rh
|
hard_negative
| false
| null | 0
| 0.433317
| -0.079622
| true
|
[
"metallic"
] | null |
mp-1187080
|
[
"Sn",
"Te"
] |
[
50,
50,
50,
50,
50,
50,
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": 4.601808071136475,
"b": 4.601808071136475,
"c": 11.032987594604492,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Sn3Te
|
hard_negative
| false
| null | 0
| 0.207157
| 0.074632
| true
|
[
"metallic"
] | null |
mp-1187084
|
[
"Sm",
"Pu"
] |
[
62,
62,
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": 4.695432186126709,
"b": 4.695432186126709,
"c": 9.57079792022705,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
SmPu3
|
hard_negative
| false
| null | 0
| 0.250901
| 0.250901
| true
|
[
"metallic"
] | null |
mp-1187100
|
[
"Mg",
"Sr"
] |
[
38,
38,
38,
38,
12,
12
] | 6
| 2
|
[
[
0,
0,
0.3580338656902313
],
[
0.5,
0.5,
0.14196613430976868
],
[
0.5,
0.5,
0.8580338358879089
],
[
0,
0,
0.6419661641120911
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 4.236416339874268,
"b": 4.236416339874268,
"c": 14.494975090026855,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Sr2Mg
|
hard_negative
| false
| null | 0
| 0.048463
| 0.003383
| true
|
[
"metallic"
] | null |
mp-1187110
|
[
"Ca",
"Sr"
] |
[
38,
38,
38,
38,
38,
38,
20,
20
] | 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": 5.985437393188477,
"b": 5.985437393188477,
"c": 11.913412094116211,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Sr3Ca
|
hard_negative
| false
| null | 0
| 0.044508
| 0.044508
| true
|
[
"metallic"
] | null |
mp-1187114
|
[
"Cr",
"Sr"
] |
[
38,
38,
38,
38,
38,
38,
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": 5.560751914978027,
"b": 5.560751914978027,
"c": 10.951848030090332,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Sr3Cr
|
hard_negative
| false
| null | 0
| 0.504573
| 0.504573
| true
|
[
"metallic"
] | null |
mp-1187123
|
[
"Sr",
"Nb"
] |
[
38,
38,
38,
38,
38,
38,
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": 5.548952102661133,
"b": 5.548952102661133,
"c": 10.364935874938965,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Sr3Nb
|
hard_negative
| false
| null | 0
| 0.736441
| 0.736441
| true
|
[
"metallic"
] | null |
mp-1187141
|
[
"Sr",
"Ta"
] |
[
38,
38,
38,
38,
38,
38,
73,
73
] | 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": 5.399775981903076,
"b": 5.399775981903076,
"c": 10.627462387084961,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Sr3Ta
|
hard_negative
| false
| null | 0
| 0.903848
| 0.903848
| true
|
[
"metallic"
] | null |
mp-1187142
|
[
"Ti",
"Sr"
] |
[
38,
38,
38,
38,
38,
38,
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": 5.507118225097656,
"b": 5.507118225097656,
"c": 11.045364379882812,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Sr3Ti
|
hard_negative
| false
| null | 0
| 0.522096
| 0.522096
| true
|
[
"metallic"
] | null |
mp-1187148
|
[
"Sr",
"Zr"
] |
[
38,
38,
38,
38,
38,
38,
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": 5.551941871643066,
"b": 5.551941871643066,
"c": 10.96460247039795,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Sr3Zr
|
hard_negative
| false
| null | 0
| 0.500508
| 0.500508
| true
|
[
"metallic"
] | null |
mp-1187149
|
[
"Sc",
"Sr"
] |
[
38,
38,
38,
38,
38,
38,
21,
21
] | 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": 5.562633991241455,
"b": 5.562633991241455,
"c": 11.57345962524414,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Sr3Sc
|
hard_negative
| false
| null | 0
| 0.294565
| 0.294565
| true
|
[
"metallic"
] | null |
mp-1187156
|
[
"Sr",
"Th"
] |
[
38,
38,
38,
38,
38,
38,
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": 5.748785972595215,
"b": 5.748785972595215,
"c": 11.134380340576172,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Sr3Th
|
hard_negative
| false
| null | 0
| 0.404807
| 0.404807
| true
|
[
"metallic"
] | null |
mp-1187169
|
[
"Ca",
"Sr"
] |
[
38,
38,
20,
20,
20,
20,
20,
20
] | 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": 5.732055187225342,
"b": 5.732055187225342,
"c": 11.327914237976074,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
SrCa3
|
hard_negative
| false
| null | 0
| 0.030014
| 0.030014
| true
|
[
"metallic"
] | null |
mp-1187177
|
[
"F",
"Sr"
] |
[
38,
38,
9,
9,
9,
9,
9,
9
] | 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": 3.992295742034912,
"b": 3.992295742034912,
"c": 6.468443393707275,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
SrF3
|
hard_negative
| false
| null | 0
| 0.131727
| -3.024883
| true
|
[
"halide",
"metallic"
] | null |
mp-1187215
|
[
"As",
"Ta"
] |
[
73,
73,
33,
33,
33,
33,
33,
33
] | 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": 3.984920024871826,
"b": 3.984920024871826,
"c": 8.969442367553711,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
TaAs3
|
hard_negative
| false
| null | 0
| 0.647999
| 0.249073
| true
|
[
"metallic"
] | null |
mp-1187223
|
[
"Pd",
"Ta"
] |
[
73,
73,
73,
73,
73,
73,
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": 4.0590739250183105,
"b": 4.0590739250183105,
"c": 8.547191619873047,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Ta3Pd
|
hard_negative
| false
| null | 0
| 0.145888
| -0.037568
| true
|
[
"metallic"
] | null |
mp-1187227
|
[
"Cu",
"Ta"
] |
[
73,
73,
73,
73,
73,
73,
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": 4.01301383972168,
"b": 4.01301383972168,
"c": 8.416339874267578,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Ta3Cu
|
hard_negative
| false
| null | 0
| 0.164943
| 0.164943
| true
|
[
"metallic"
] | null |
mp-1187229
|
[
"Sr",
"La"
] |
[
38,
38,
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": 5.434773921966553,
"b": 5.434773921966553,
"c": 10.923574447631836,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
SrLa3
|
hard_negative
| false
| null | 0
| 0.139018
| 0.139018
| true
|
[
"metallic"
] | null |
mp-1187230
|
[
"Sr",
"Sm"
] |
[
38,
38,
62,
62,
62,
62,
62,
62
] | 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": 5.300642013549805,
"b": 5.300642013549805,
"c": 10.625495910644531,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
SrSm3
|
hard_negative
| false
| null | 0
| 0.164102
| 0.164102
| true
|
[
"metallic"
] | null |
mp-1187236
|
[
"Sr",
"Pa"
] |
[
38,
38,
91,
91,
91,
91,
91,
91
] | 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": 4.789586067199707,
"b": 4.789586067199707,
"c": 9.485309600830078,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
SrPa3
|
hard_negative
| false
| null | 0
| 0.630463
| 0.630463
| true
|
[
"metallic"
] | null |
mp-1187239
|
[
"Sr",
"Gd"
] |
[
38,
38,
64,
64,
64,
64,
64,
64
] | 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": 5.2396979331970215,
"b": 5.2396979331970215,
"c": 10.59367561340332,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
SrGd3
|
hard_negative
| false
| null | 0
| 0.170339
| 0.170339
| true
|
[
"metallic"
] | null |
mp-1187255
|
[
"P",
"Ta"
] |
[
73,
73,
15,
15,
15,
15,
15,
15
] | 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": 3.7207179069519043,
"b": 3.7207179069519043,
"c": 8.485227584838867,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
TaP3
|
hard_negative
| false
| null | 0
| 0.694533
| 0.19675
| true
|
[
"metallic"
] | null |
mp-1187256
|
[
"Ti",
"Ta"
] |
[
73,
73,
22,
22,
22,
22,
22,
22
] | 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": 3.995729923248291,
"b": 3.995729923248291,
"c": 8.795926094055176,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
TaTi3
|
hard_negative
| false
| null | 0
| 0.097486
| 0.097486
| true
|
[
"metallic"
] | null |
mp-1187268
|
[
"Sm",
"Gd"
] |
[
62,
62,
64,
64,
64,
64,
64,
64
] | 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": 5.097458362579346,
"b": 5.097458362579346,
"c": 10.235771179199219,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
SmGd3
|
hard_negative
| false
| null | 0
| 0.10053
| 0.10053
| true
|
[
"metallic"
] | null |
mp-1187275
|
[
"Tb",
"Bi"
] |
[
65,
65,
65,
65,
65,
65,
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": 4.738877773284912,
"b": 4.738877773284912,
"c": 10.615068435668945,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Tb3Bi
|
hard_negative
| false
| null | 0
| 0.126925
| -0.439314
| true
|
[
"metallic"
] | null |
mp-1187278
|
[
"Tb",
"Dy"
] |
[
65,
65,
65,
65,
65,
65,
66,
66
] | 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": 5.036623001098633,
"b": 5.036623001098633,
"c": 10.065661430358887,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Tb3Dy
|
hard_negative
| false
| null | 0
| 0.033101
| 0.033101
| true
|
[
"metallic"
] | null |
mp-1187288
|
[
"Sr",
"Eu"
] |
[
38,
38,
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": 5.679870128631592,
"b": 5.679870128631592,
"c": 11.711943626403809,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
SrEu3
|
hard_negative
| false
| null | 0
| 0.076167
| 0.076167
| true
|
[
"metallic"
] | null |
mp-1187289
|
[
"Sr",
"Eu"
] |
[
38,
38,
38,
38,
38,
38,
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": 6.048337936401367,
"b": 6.048337936401367,
"c": 12.061043739318848,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Sr3Eu
|
hard_negative
| false
| null | 0
| 0.068458
| 0.068458
| true
|
[
"metallic"
] | null |
mp-1187294
|
[
"Tb",
"Ho"
] |
[
65,
65,
65,
65,
65,
65,
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": 5.025865077972412,
"b": 5.025865077972412,
"c": 10.067525863647461,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Tb3Ho
|
hard_negative
| false
| null | 0
| 0.04088
| 0.034933
| true
|
[
"metallic"
] | null |
mp-1187295
|
[
"Nd",
"Tb"
] |
[
65,
65,
65,
65,
65,
65,
60,
60
] | 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": 5.088571548461914,
"b": 5.088571548461914,
"c": 10.15854549407959,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Tb3Nd
|
hard_negative
| false
| null | 0
| 0.032453
| 0.032453
| true
|
[
"metallic"
] | null |
mp-1187300
|
[
"Pm",
"Tb"
] |
[
65,
65,
65,
65,
65,
65,
61,
61
] | 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": 5.076212406158447,
"b": 5.076212406158447,
"c": 10.14018440246582,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Tb3Pm
|
hard_negative
| false
| null | 0
| 0.030913
| 0.030702
| true
|
[
"metallic"
] | null |
mp-1187301
|
[
"Pr",
"Tb"
] |
[
65,
65,
65,
65,
65,
65,
59,
59
] | 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": 5.108261585235596,
"b": 5.108261585235596,
"c": 10.15691089630127,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Tb3Pr
|
hard_negative
| false
| null | 0
| 0.038564
| 0.038564
| true
|
[
"metallic"
] | null |
mp-1187309
|
[
"Te",
"Tb"
] |
[
65,
65,
65,
65,
65,
65,
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": 4.664152145385742,
"b": 4.664152145385742,
"c": 10.556382179260254,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Tb3Te
|
hard_negative
| false
| null | 0
| 0.225721
| -0.549205
| true
|
[
"metallic"
] | null |
mp-1187311
|
[
"Sm",
"Tb"
] |
[
65,
65,
65,
65,
65,
65,
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": 5.0656657218933105,
"b": 5.0656657218933105,
"c": 10.129707336425781,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Tb3Sm
|
hard_negative
| false
| null | 0
| 0.032624
| 0.029871
| true
|
[
"metallic"
] | null |
mp-1187313
|
[
"Tb",
"Tm"
] |
[
65,
65,
65,
65,
65,
65,
69,
69
] | 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": 5.013148307800293,
"b": 5.013148307800293,
"c": 10.034758567810059,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Tb3Tm
|
hard_negative
| false
| null | 0
| 0.037837
| 0.037837
| true
|
[
"metallic"
] | null |
mp-1187316
|
[
"Sc",
"Tb"
] |
[
65,
65,
65,
65,
65,
65,
21,
21
] | 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": 4.9778618812561035,
"b": 4.9778618812561035,
"c": 9.74555778503418,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Tb3Sc
|
hard_negative
| false
| null | 0
| 0.064054
| 0.064054
| true
|
[
"metallic"
] | null |
mp-1187322
|
[
"Y",
"Tb"
] |
[
65,
65,
65,
65,
65,
65,
39,
39
] | 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": 5.058969020843506,
"b": 5.058969020843506,
"c": 10.103818893432617,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Tb3Y
|
hard_negative
| false
| null | 0
| 0.047192
| 0.047192
| true
|
[
"metallic"
] | null |
mp-1187323
|
[
"Zr",
"Tb"
] |
[
65,
65,
65,
65,
65,
65,
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": 4.8974761962890625,
"b": 4.8974761962890625,
"c": 9.750249862670898,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Tb3Zr
|
hard_negative
| false
| null | 0
| 0.102352
| 0.102352
| true
|
[
"metallic"
] | null |
mp-1187324
|
[
"Tb",
"Th"
] |
[
65,
65,
65,
65,
65,
65,
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": 5.087893486022949,
"b": 5.087893486022949,
"c": 9.9657621383667,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Tb3Th
|
hard_negative
| false
| null | 0
| 0.047822
| 0.047822
| true
|
[
"metallic"
] | null |
mp-1187325
|
[
"Tb",
"Pb"
] |
[
65,
65,
65,
65,
65,
65,
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": 4.738637924194336,
"b": 4.738637924194336,
"c": 10.493302345275879,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Tb3Pb
|
hard_negative
| false
| null | 0
| 0.097734
| -0.262889
| true
|
[
"metallic"
] | null |
mp-1187331
|
[
"Tb",
"Bi"
] |
[
65,
65,
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": 4.686738014221191,
"b": 4.686738014221191,
"c": 11.027877807617188,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
TbBi3
|
hard_negative
| false
| null | 0
| 0.084612
| -0.466259
| true
|
[
"metallic"
] | null |
mp-1187350
|
[
"Tb",
"Ho"
] |
[
65,
65,
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": 4.998354434967041,
"b": 4.998354434967041,
"c": 10.015528678894043,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
TbHo3
|
hard_negative
| false
| null | 0
| 0.048522
| 0.042575
| true
|
[
"metallic"
] | null |
mp-1187354
|
[
"Ce",
"Tb"
] |
[
65,
65,
65,
65,
65,
65,
58,
58
] | 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": 4.9994659423828125,
"b": 4.9994659423828125,
"c": 9.90078353881836,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Tb3Ce
|
hard_negative
| false
| null | 0
| 0.085084
| 0.085084
| true
|
[
"metallic"
] | null |
mp-1187360
|
[
"Ce",
"Tb"
] |
[
65,
65,
58,
58,
58,
58,
58,
58
] | 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": 4.791197776794434,
"b": 4.791197776794434,
"c": 9.752792358398438,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
TbCe3
|
hard_negative
| false
| null | 0
| 0.095443
| 0.095443
| true
|
[
"metallic"
] | null |
mp-1187386
|
[
"Tb",
"Np"
] |
[
65,
65,
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": 4.579843997955322,
"b": 4.579843997955322,
"c": 9.235274314880371,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
TbNp3
|
hard_negative
| false
| null | 0
| 0.700145
| 0.700145
| true
|
[
"metallic"
] | null |
mp-1187396
|
[
"Mo",
"Tc"
] |
[
43,
43,
43,
43,
43,
43,
42,
42
] | 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": 3.9195199012756348,
"b": 3.9195199012756348,
"c": 7.813695907592773,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Tc3Mo
|
hard_negative
| false
| null | 0
| 0.119018
| 0.119018
| true
|
[
"metallic"
] | null |
mp-1187405
|
[
"Cd",
"Th"
] |
[
90,
90,
90,
90,
90,
90,
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": 4.902501106262207,
"b": 4.902501106262207,
"c": 10.061458587646484,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Th3Cd
|
hard_negative
| false
| null | 0
| 0.060213
| -0.02108
| true
|
[
"metallic"
] | null |
mp-1187406
|
[
"Zn",
"Th"
] |
[
90,
90,
90,
90,
90,
90,
30,
30
] | 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": 4.800446033477783,
"b": 4.800446033477783,
"c": 9.9607515335083,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Th3Zn
|
hard_negative
| false
| null | 0
| 0.128987
| 0.002652
| true
|
[
"metallic"
] | null |
mp-1187408
|
[
"Cl",
"Th"
] |
[
90,
90,
90,
90,
90,
90,
17,
17
] | 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": 4.793859958648682,
"b": 4.793859958648682,
"c": 10.25361156463623,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Th3Cl
|
hard_negative
| false
| null | 0
| 0.740031
| -0.016214
| true
|
[
"halide",
"metallic"
] | null |
mp-1187410
|
[
"Hg",
"Th"
] |
[
90,
90,
90,
90,
90,
90,
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": 4.86743688583374,
"b": 4.86743688583374,
"c": 10.071416854858398,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Th3Hg
|
hard_negative
| false
| null | 0
| 0.079906
| -0.072799
| true
|
[
"metallic"
] | null |
mp-1187414
|
[
"W",
"Th"
] |
[
90,
90,
90,
90,
90,
90,
74,
74
] | 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": 4.618492126464844,
"b": 4.618492126464844,
"c": 10.1384859085083,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Th3W
|
hard_negative
| false
| null | 0
| 0.450887
| 0.450887
| true
|
[
"metallic"
] | null |
mp-1187446
|
[
"Ti",
"Th"
] |
[
90,
90,
22,
22,
22,
22,
22,
22
] | 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": 4.724949836730957,
"b": 4.724949836730957,
"c": 7.251743793487549,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
ThTi3
|
hard_negative
| false
| null | 0
| 0.156023
| 0.156023
| true
|
[
"metallic"
] | null |
mp-1187450
|
[
"Te",
"Pb"
] |
[
52,
52,
82,
82,
82,
82,
82,
82
] | 8
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.25
],
[
0,
0.5,
0.25
],
[
0,
0,
0.5
],
[
0,
0.5,
0.75
],
[
0.5,
0,
0.75
]
] |
{
"a": 4.843810081481934,
"b": 4.843810081481934,
"c": 11.05471420288086,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
TePb3
|
hard_negative
| false
| null | 0
| 0.306293
| 0.054378
| true
|
[
"metallic"
] | null |
mp-1187451
|
[
"Tc",
"Th"
] |
[
90,
90,
43,
43,
43,
43,
43,
43
] | 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": 4.491471767425537,
"b": 4.491471767425537,
"c": 7.09168004989624,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
ThTc3
|
hard_negative
| false
| null | 0
| 0.37149
| 0.269504
| true
|
[
"metallic"
] | null |
mp-1187457
|
[
"Sc",
"Th"
] |
[
90,
90,
21,
21,
21,
21,
21,
21
] | 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": 4.893435478210449,
"b": 4.893435478210449,
"c": 8.934685707092285,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
ThSc3
|
hard_negative
| false
| null | 0
| 0.052676
| 0.052676
| true
|
[
"metallic"
] | null |
mp-1187468
|
[
"Eu",
"Tb"
] |
[
65,
65,
65,
65,
65,
65,
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": 5.09800386428833,
"b": 5.09800386428833,
"c": 10.22879409790039,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Tb3Eu
|
hard_negative
| false
| null | 0
| 0.079582
| 0.079582
| true
|
[
"metallic"
] | null |
mp-1187474
|
[
"Ti",
"Zn"
] |
[
22,
22,
22,
22,
22,
22,
30,
30
] | 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": 3.926652431488037,
"b": 3.926652431488037,
"c": 8.38280200958252,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Ti3Zn
|
hard_negative
| false
| null | 0
| 0.01119
| -0.10633
| true
|
[
"metallic"
] | null |
mp-1187475
|
[
"Be",
"Ti"
] |
[
22,
22,
22,
22,
22,
22,
4,
4
] | 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": 3.8504300117492676,
"b": 3.8504300117492676,
"c": 8.02598762512207,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Ti3Be
|
hard_negative
| false
| null | 0
| 0.072077
| -0.000591
| true
|
[
"metallic"
] | null |
mp-1187512
|
[
"Ti",
"Au"
] |
[
22,
22,
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": 4.202635765075684,
"b": 4.202635765075684,
"c": 7.715766429901123,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
TiAu3
|
hard_negative
| false
| null | 0
| 0.063009
| -0.312751
| true
|
[
"metallic"
] | null |
mp-1187528
|
[
"Ti",
"Sb"
] |
[
22,
22,
51,
51,
51,
51,
51,
51
] | 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": 4.415326118469238,
"b": 4.415326118469238,
"c": 9.828630447387695,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
TiSb3
|
hard_negative
| false
| null | 0
| 0.409267
| 0.102539
| true
|
[
"metallic"
] | null |
mp-1187541
|
[
"Ti",
"In"
] |
[
22,
22,
22,
22,
22,
22,
49,
49
] | 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": 4.088540077209473,
"b": 4.088540077209473,
"c": 8.73473834991455,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Ti3In
|
hard_negative
| false
| null | 0
| 0.004948
| -0.120116
| true
|
[
"metallic"
] | null |
mp-1187544
|
[
"S",
"Tl"
] |
[
81,
81,
81,
81,
81,
81,
16,
16
] | 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": 4.701940059661865,
"b": 4.701940059661865,
"c": 10.285601615905762,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Tl3S
|
hard_negative
| false
| null | 0
| 0.15569
| -0.223148
| true
|
[
"sulfide",
"metallic"
] | null |
mp-1187545
|
[
"Ag",
"Tl"
] |
[
81,
81,
81,
81,
81,
81,
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": 4.696872234344482,
"b": 4.696872234344482,
"c": 10.113876342773438,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Tl3Ag
|
hard_negative
| false
| null | 0
| 0.109451
| 0.109451
| true
|
[
"metallic"
] | null |
mp-1187546
|
[
"Cu",
"Tl"
] |
[
81,
81,
81,
81,
81,
81,
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": 4.572137832641602,
"b": 4.572137832641602,
"c": 9.972607612609863,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Tl3Cu
|
hard_negative
| false
| null | 0
| 0.289969
| 0.289969
| true
|
[
"metallic"
] | null |
mp-1187547
|
[
"Y",
"Yb"
] |
[
70,
70,
39,
39,
39,
39,
39,
39
] | 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": 5.047290325164795,
"b": 5.047290325164795,
"c": 10.151421546936035,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
YbY3
|
hard_negative
| false
| null | 0
| 0.08388
| 0.08388
| true
|
[
"metallic"
] | null |
mp-1187549
|
[
"Pm",
"Yb"
] |
[
70,
70,
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": 5.1069159507751465,
"b": 5.1069159507751465,
"c": 10.18437385559082,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
YbPm3
|
hard_negative
| false
| null | 0
| 0.026659
| 0.026659
| true
|
[
"metallic"
] | null |
mp-1187550
|
[
"Si",
"Tl"
] |
[
81,
81,
81,
81,
81,
81,
14,
14
] | 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": 5.198497772216797,
"b": 5.198497772216797,
"c": 8.120513916015625,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Tl3Si
|
hard_negative
| false
| null | 0
| 0.35596
| 0.35596
| true
|
[
"metallic"
] | null |
mp-1187551
|
[
"Zn",
"Tl"
] |
[
81,
81,
81,
81,
81,
81,
30,
30
] | 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": 4.759746074676514,
"b": 4.759746074676514,
"c": 9.90106201171875,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Tl3Zn
|
hard_negative
| false
| null | 0
| 0.13277
| 0.13277
| true
|
[
"metallic"
] | null |
mp-1187554
|
[
"Ge",
"Tl"
] |
[
81,
81,
81,
81,
81,
81,
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": 5.344346046447754,
"b": 5.344346046447754,
"c": 7.909411907196045,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Tl3Ge
|
hard_negative
| false
| null | 0
| 0.153064
| 0.153064
| true
|
[
"metallic"
] | null |
mp-1187555
|
[
"Cd",
"Tl"
] |
[
81,
81,
81,
81,
81,
81,
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": 4.792389392852783,
"b": 4.792389392852783,
"c": 9.847221374511719,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Tl3Cd
|
hard_negative
| false
| null | 0
| 0.067324
| 0.067324
| true
|
[
"metallic"
] | null |
mp-1187637
|
[
"F",
"Yb"
] |
[
70,
70,
9,
9,
9,
9,
9,
9
] | 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": 3.5437798500061035,
"b": 3.5437798500061035,
"c": 6.25955867767334,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
YbF3
|
hard_negative
| false
| null | 0
| 0.3526
| -4.17172
| true
|
[
"halide",
"metallic"
] | null |
mp-1187647
|
[
"Sn",
"Tm"
] |
[
69,
69,
69,
69,
69,
69,
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": 4.560476303100586,
"b": 4.560476303100586,
"c": 10.347574234008789,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Tm3Sn
|
hard_negative
| false
| null | 0
| 0.089466
| -0.371802
| true
|
[
"metallic"
] | null |
mp-1187648
|
[
"Ge",
"Tm"
] |
[
69,
69,
69,
69,
69,
69,
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": 4.442657947540283,
"b": 4.442657947540283,
"c": 10.172211647033691,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Tm3Ge
|
hard_negative
| false
| null | 0
| 0.241639
| -0.290174
| true
|
[
"metallic"
] | null |
mp-1187652
|
[
"Ru",
"Tm"
] |
[
69,
69,
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": 3.983867883682251,
"b": 3.983867883682251,
"c": 8.171485900878906,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
TmRu3
|
hard_negative
| false
| null | 0
| 0.38471
| 0.101204
| true
|
[
"metallic"
] | null |
mp-1187668
|
[
"Ge",
"U"
] |
[
92,
92,
92,
92,
92,
92,
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": 4.3086113929748535,
"b": 4.3086113929748535,
"c": 8.369278907775879,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
U3Ge
|
hard_negative
| false
| null | 0
| 0.068165
| -0.120785
| true
|
[
"metallic"
] | null |
mp-1187669
|
[
"Dy",
"Yb"
] |
[
70,
70,
66,
66,
66,
66,
66,
66
] | 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": 4.990161418914795,
"b": 4.990161418914795,
"c": 9.976288795471191,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
YbDy3
|
hard_negative
| false
| null | 0
| 0.04654
| 0.042906
| true
|
[
"metallic"
] | null |
mp-1187675
|
[
"Ho",
"Yb"
] |
[
70,
70,
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": 4.962827682495117,
"b": 4.962827682495117,
"c": 9.967987060546875,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
YbHo3
|
hard_negative
| false
| null | 0
| 0.051438
| 0.04782
| true
|
[
"metallic"
] | null |
mp-1187678
|
[
"Th",
"Np"
] |
[
90,
90,
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": 4.597866058349609,
"b": 4.597866058349609,
"c": 8.934844017028809,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
ThNp3
|
hard_negative
| false
| null | 0
| 0.582907
| 0.582907
| true
|
[
"metallic"
] | null |
mp-1187683
|
[
"Hg",
"U"
] |
[
92,
92,
92,
92,
92,
92,
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": 4.496634006500244,
"b": 4.496634006500244,
"c": 8.670479774475098,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
U3Hg
|
hard_negative
| false
| null | 0
| 0.448469
| 0.448469
| true
|
[
"metallic"
] | null |
mp-1187719
|
[
"V",
"Ag"
] |
[
23,
23,
23,
23,
23,
23,
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": 3.8706560134887695,
"b": 3.8706560134887695,
"c": 7.909706115722656,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
V3Ag
|
hard_negative
| false
| null | 0
| 0.372452
| 0.372452
| true
|
[
"metallic"
] | null |
mp-1187734
|
[
"V",
"Br"
] |
[
23,
23,
23,
23,
23,
23,
35,
35
] | 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": 3.55049204826355,
"b": 3.55049204826355,
"c": 9.101601600646973,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
V3Br
|
hard_negative
| false
| null | 0
| 0.914012
| 0.460672
| true
|
[
"halide",
"metallic"
] | null |
mp-1187742
|
[
"In",
"Tl"
] |
[
81,
81,
49,
49,
49,
49,
49,
49
] | 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": 4.852181911468506,
"b": 4.852181911468506,
"c": 9.302218437194824,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
TlIn3
|
hard_negative
| false
| null | 0
| 0.028007
| 0.028007
| true
|
[
"metallic"
] | null |
mp-1187748
|
[
"Mn",
"U"
] |
[
92,
92,
25,
25,
25,
25,
25,
25
] | 8
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.25
],
[
0,
0.5,
0.25
],
[
0,
0,
0.5
],
[
0,
0.5,
0.75
],
[
0.5,
0,
0.75
]
] |
{
"a": 3.7994139194488525,
"b": 3.7994139194488525,
"c": 7.525887966156006,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
UMn3
|
hard_negative
| false
| null | 0
| 0.177328
| 0.14278
| true
|
[
"metallic"
] | null |
mp-1187753
|
[
"V",
"Cu"
] |
[
23,
23,
23,
23,
23,
23,
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": 3.6540191173553467,
"b": 3.6540191173553467,
"c": 7.760572910308838,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
V3Cu
|
hard_negative
| false
| null | 0
| 0.138323
| 0.138323
| true
|
[
"metallic"
] | null |
mp-1187756
|
[
"Zn",
"U"
] |
[
92,
92,
92,
92,
92,
92,
30,
30
] | 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": 4.348502159118652,
"b": 4.348502159118652,
"c": 8.296316146850586,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
U3Zn
|
hard_negative
| false
| null | 0
| 0.225285
| 0.207173
| true
|
[
"metallic"
] | null |
mp-1187758
|
[
"W",
"Au"
] |
[
74,
74,
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": 4.242949962615967,
"b": 4.242949962615967,
"c": 7.743800163269043,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
WAu3
|
hard_negative
| false
| null | 0
| 0.514512
| 0.514512
| true
|
[
"metallic"
] | null |
mp-1187786
|
[
"Ge",
"Y"
] |
[
39,
39,
39,
39,
39,
39,
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": 4.530787944793701,
"b": 4.530787944793701,
"c": 10.39404010772705,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Y3Ge
|
hard_negative
| false
| null | 0
| 0.264851
| -0.354666
| true
|
[
"metallic"
] | null |
mp-1187787
|
[
"F",
"V"
] |
[
23,
23,
23,
23,
23,
23,
9,
9
] | 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": 3.6760220527648926,
"b": 3.6760220527648926,
"c": 10.214533805847168,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
V3F
|
hard_negative
| false
| null | 0
| 1.730863
| 0.599621
| true
|
[
"halide",
"metallic"
] | null |
mp-1187795
|
[
"P",
"Y"
] |
[
39,
39,
39,
39,
39,
39,
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": 4.428686141967773,
"b": 4.428686141967773,
"c": 10.292717933654785,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Y3P
|
hard_negative
| false
| null | 0
| 0.502638
| -0.425939
| true
|
[
"metallic"
] | null |
mp-1187805
|
[
"Y",
"Sn"
] |
[
39,
39,
39,
39,
39,
39,
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": 4.6821699142456055,
"b": 4.6821699142456055,
"c": 10.528349876403809,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Y3Sn
|
hard_negative
| false
| null | 0
| 0.133223
| -0.362388
| true
|
[
"metallic"
] | null |
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