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-1186287
|
[
"Zn",
"Nd"
] |
[
60,
60,
60,
60,
60,
60,
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": 4.81375789642334,
"b": 4.81375789642334,
"c": 10.019428253173828,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Nd3Zn
|
hard_negative
| false
| null | 0
| 0.125561
| -0.031806
| true
|
[
"metallic"
] | null |
mp-1186299
|
[
"As",
"Nd"
] |
[
60,
60,
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": 4.188796043395996,
"b": 4.188796043395996,
"c": 10.077001571655273,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
NdAs3
|
hard_negative
| false
| null | 0
| 0.232896
| -0.657691
| true
|
[
"metallic"
] | null |
mp-1186301
|
[
"Nd",
"Dy"
] |
[
60,
60,
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": 5.0689849853515625,
"b": 5.0689849853515625,
"c": 10.116589546203613,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
NdDy3
|
hard_negative
| false
| null | 0
| 0.040463
| 0.040463
| true
|
[
"metallic"
] | null |
mp-1186315
|
[
"Nd",
"Ho"
] |
[
60,
60,
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": 5.0518059730529785,
"b": 5.0518059730529785,
"c": 10.07335090637207,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
NdHo3
|
hard_negative
| false
| null | 0
| 0.046485
| 0.046485
| true
|
[
"metallic"
] | null |
mp-1186350
|
[
"Ni",
"Ir"
] |
[
28,
28,
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": 3.7619001865386963,
"b": 3.7619001865386963,
"c": 7.602766036987305,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
NiIr3
|
hard_negative
| false
| null | 0
| 0.011985
| 0.011985
| true
|
[
"metallic"
] | null |
mp-1186355
|
[
"Se",
"Np"
] |
[
93,
93,
34,
34,
34,
34,
34,
34
] | 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": 4.114503860473633,
"b": 4.114503860473633,
"c": 9.846181869506836,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
NpSe3
|
hard_negative
| false
| null | 0
| 0.275733
| -0.949325
| true
|
[
"metallic"
] | null |
mp-1186365
|
[
"Os",
"Au"
] |
[
76,
76,
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": 4.192674160003662,
"b": 4.192674160003662,
"c": 7.805980205535889,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
OsAu3
|
hard_negative
| false
| null | 0
| 0.654966
| 0.654966
| true
|
[
"metallic"
] | null |
mp-1186366
|
[
"P",
"Au"
] |
[
15,
15,
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": 4.073875904083252,
"b": 4.073875904083252,
"c": 8.507147789001465,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
PAu3
|
hard_negative
| false
| null | 0
| 0.361511
| 0.2935
| true
|
[
"metallic"
] | null |
mp-1186368
|
[
"P",
"Pt"
] |
[
15,
15,
78,
78,
78,
78,
78,
78
] | 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": 3.9005320072174072,
"b": 3.9005320072174072,
"c": 8.162484169006348,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
PPt3
|
hard_negative
| false
| null | 0
| 0.479805
| 0.090603
| true
|
[
"metallic"
] | null |
mp-1186371
|
[
"P",
"Pb"
] |
[
15,
15,
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": 4.579247951507568,
"b": 4.579247951507568,
"c": 10.763948440551758,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
PPb3
|
hard_negative
| false
| null | 0
| 0.266925
| 0.258194
| true
|
[
"metallic"
] | null |
mp-1186382
|
[
"Br",
"Pa"
] |
[
91,
91,
91,
91,
91,
91,
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": 4.534152030944824,
"b": 4.534152030944824,
"c": 8.976792335510254,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Pa3Br
|
hard_negative
| false
| null | 0
| 0.579356
| -0.001192
| true
|
[
"halide",
"metallic"
] | null |
mp-1186386
|
[
"Nd",
"Pu"
] |
[
60,
60,
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": 4.864768028259277,
"b": 4.864768028259277,
"c": 9.894288063049316,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
NdPu3
|
hard_negative
| false
| null | 0
| 0.235618
| 0.235618
| true
|
[
"metallic"
] | null |
mp-1186393
|
[
"Sc",
"Np"
] |
[
93,
93,
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": 4.504871845245361,
"b": 4.504871845245361,
"c": 9.563664436340332,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
NpSc3
|
hard_negative
| false
| null | 0
| 0.337688
| 0.337688
| true
|
[
"metallic"
] | null |
mp-1186413
|
[
"Re",
"Pa"
] |
[
91,
91,
75,
75,
75,
75,
75,
75
] | 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": 4.2986578941345215,
"b": 4.2986578941345215,
"c": 7.549148082733154,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
PaRe3
|
hard_negative
| false
| null | 0
| 0.300544
| 0.300544
| true
|
[
"metallic"
] | null |
mp-1186415
|
[
"Tc",
"Pa"
] |
[
91,
91,
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,
0,
0.5
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0.5,
0.5,
0
]
] |
{
"a": 4.181528091430664,
"b": 4.181528091430664,
"c": 7.699994087219238,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
PaTc3
|
hard_negative
| false
| null | 0
| 0.045222
| 0.045222
| true
|
[
"metallic"
] | null |
mp-1186437
|
[
"Pd",
"W"
] |
[
46,
46,
46,
46,
46,
46,
74,
74
] | 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": 3.8536624908447266,
"b": 3.8536624908447266,
"c": 7.993323802947998,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Pd3W
|
hard_negative
| false
| null | 0
| 0.011338
| 0.011338
| true
|
[
"metallic"
] | null |
mp-1186442
|
[
"Rh",
"Pd"
] |
[
46,
46,
46,
46,
46,
46,
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": 3.878919839859009,
"b": 3.878919839859009,
"c": 7.878947734832764,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Pd3Rh
|
hard_negative
| false
| null | 0
| 0.053442
| 0.053442
| true
|
[
"metallic"
] | null |
mp-1186443
|
[
"Pd",
"Pb"
] |
[
46,
46,
82,
82,
82,
82,
82,
82
] | 8
| 2
|
[
[
0,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0.5,
0.5,
0
],
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0,
0,
0.5
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
]
] |
{
"a": 4.80994176864624,
"b": 4.80994176864624,
"c": 9.139036178588867,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
PdPb3
|
hard_negative
| false
| null | 0
| 0.176921
| 0.020925
| true
|
[
"metallic"
] | null |
mp-1186445
|
[
"Pd",
"I"
] |
[
46,
46,
46,
46,
46,
46,
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": 4.293898105621338,
"b": 4.293898105621338,
"c": 7.751820087432861,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Pd3I
|
hard_negative
| false
| null | 0
| 0.255193
| 0.066566
| true
|
[
"halide",
"metallic"
] | null |
mp-1186450
|
[
"Pd",
"Pt"
] |
[
46,
46,
78,
78,
78,
78,
78,
78
] | 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": 3.9438719749450684,
"b": 3.9438719749450684,
"c": 7.83146858215332,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
PdPt3
|
hard_negative
| false
| null | 0
| 0
| -0.035305
| true
|
[
"metallic"
] | null |
mp-1186463
|
[
"S",
"Pd"
] |
[
46,
46,
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": 3.3506340980529785,
"b": 3.3506340980529785,
"c": 16.12820053100586,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
PdS3
|
hard_negative
| false
| null | 0
| 0.419126
| 0.16539
| true
|
[
"sulfide",
"metallic"
] | null |
mp-1186488
|
[
"Ag",
"Pm"
] |
[
61,
61,
61,
61,
61,
61,
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": 4.771892070770264,
"b": 4.771892070770264,
"c": 10.30760383605957,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Pm3Ag
|
hard_negative
| false
| null | 0
| 0.082225
| 0.014181
| true
|
[
"metallic"
] | null |
mp-1186493
|
[
"Cd",
"Pm"
] |
[
61,
61,
61,
61,
61,
61,
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": 4.863180160522461,
"b": 4.863180160522461,
"c": 10.243242263793945,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Pm3Cd
|
hard_negative
| false
| null | 0
| 0.007309
| -0.138582
| true
|
[
"metallic"
] | null |
mp-1186494
|
[
"Pm",
"Au"
] |
[
61,
61,
61,
61,
61,
61,
79,
79
] | 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": 4.706064224243164,
"b": 4.706064224243164,
"c": 10.226426124572754,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Pm3Au
|
hard_negative
| false
| null | 0
| 0.023009
| -0.267791
| true
|
[
"metallic"
] | null |
mp-1186497
|
[
"Cr",
"Pm"
] |
[
61,
61,
61,
61,
61,
61,
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": 4.8218159675598145,
"b": 4.8218159675598145,
"c": 10.032779693603516,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Pm3Cr
|
hard_negative
| false
| null | 0
| 0.361636
| 0.361636
| true
|
[
"metallic"
] | null |
mp-1186502
|
[
"Pm",
"Er"
] |
[
61,
61,
61,
61,
61,
61,
68,
68
] | 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": 5.114426612854004,
"b": 5.114426612854004,
"c": 10.228049278259277,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Pm3Er
|
hard_negative
| false
| null | 0
| 0.032903
| 0.032903
| true
|
[
"metallic"
] | null |
mp-1186511
|
[
"Cu",
"Pm"
] |
[
61,
61,
61,
61,
61,
61,
29,
29
] | 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": 4.677567958831787,
"b": 4.677567958831787,
"c": 10.108333587646484,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Pm3Cu
|
hard_negative
| false
| null | 0
| 0.19577
| 0.156637
| true
|
[
"metallic"
] | null |
mp-1186512
|
[
"Pm",
"Hg"
] |
[
61,
61,
61,
61,
61,
61,
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": 4.789028167724609,
"b": 4.789028167724609,
"c": 10.313258171081543,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Pm3Hg
|
hard_negative
| false
| null | 0
| 0.004536
| -0.220299
| true
|
[
"metallic"
] | null |
mp-1186513
|
[
"Pm",
"Hf"
] |
[
61,
61,
61,
61,
61,
61,
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": 4.969573974609375,
"b": 4.969573974609375,
"c": 9.90571403503418,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Pm3Hf
|
hard_negative
| false
| null | 0
| 0.187713
| 0.187713
| true
|
[
"metallic"
] | null |
mp-1186516
|
[
"Pm",
"Ho"
] |
[
61,
61,
61,
61,
61,
61,
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": 5.117227077484131,
"b": 5.117227077484131,
"c": 10.268251419067383,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Pm3Ho
|
hard_negative
| false
| null | 0
| 0.028237
| 0.028237
| true
|
[
"metallic"
] | null |
mp-1186517
|
[
"Mg",
"Pm"
] |
[
61,
61,
61,
61,
61,
61,
12,
12
] | 8
| 2
|
[
[
0.5,
0.5,
0
],
[
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,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 4.988840103149414,
"b": 4.988840103149414,
"c": 10.041420936584473,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Pm3Mg
|
hard_negative
| false
| null | 0
| 0.056208
| 0.011171
| true
|
[
"metallic"
] | null |
mp-1186518
|
[
"I",
"Pm"
] |
[
61,
61,
61,
61,
61,
61,
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": 4.893102645874023,
"b": 4.893102645874023,
"c": 10.835457801818848,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Pm3I
|
hard_negative
| false
| null | 0
| 0.353687
| -0.209123
| true
|
[
"halide",
"metallic"
] | null |
mp-1186520
|
[
"Pr",
"Dy"
] |
[
59,
59,
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": 5.090903282165527,
"b": 5.090903282165527,
"c": 10.108155250549316,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
PrDy3
|
hard_negative
| false
| null | 0
| 0.046865
| 0.046865
| true
|
[
"metallic"
] | null |
mp-1186523
|
[
"Nd",
"Pm"
] |
[
61,
61,
61,
61,
61,
61,
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": 5.188113689422607,
"b": 5.188113689422607,
"c": 10.342707633972168,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Pm3Nd
|
hard_negative
| false
| null | 0
| 0.02039
| 0.02039
| true
|
[
"metallic"
] | null |
mp-1186526
|
[
"Pr",
"Pm"
] |
[
61,
61,
61,
61,
61,
61,
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": 5.206928730010986,
"b": 5.206928730010986,
"c": 10.348016738891602,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Pm3Pr
|
hard_negative
| false
| null | 0
| 0.024317
| 0.024317
| true
|
[
"metallic"
] | null |
mp-1186528
|
[
"Pd",
"Pm"
] |
[
61,
61,
61,
61,
61,
61,
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": 4.529665946960449,
"b": 4.529665946960449,
"c": 10.776379585266113,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Pm3Pd
|
hard_negative
| false
| null | 0
| 0.128814
| -0.15149
| true
|
[
"metallic"
] | null |
mp-1186529
|
[
"Pm",
"Pa"
] |
[
61,
61,
61,
61,
61,
61,
91,
91
] | 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": 4.984261989593506,
"b": 4.984261989593506,
"c": 10.120061874389648,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Pm3Pa
|
hard_negative
| false
| null | 0
| 0.284329
| 0.284329
| true
|
[
"metallic"
] | null |
mp-1186535
|
[
"As",
"Pm"
] |
[
61,
61,
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": 4.1345648765563965,
"b": 4.1345648765563965,
"c": 10.126107215881348,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
PmAs3
|
hard_negative
| false
| null | 0
| 0.009555
| -0.560229
| true
|
[
"metallic"
] | null |
mp-1186536
|
[
"Pm",
"Tm"
] |
[
61,
61,
61,
61,
61,
61,
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": 5.121706485748291,
"b": 5.121706485748291,
"c": 10.163579940795898,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Pm3Tm
|
hard_negative
| false
| null | 0
| 0.032743
| 0.030998
| true
|
[
"metallic"
] | null |
mp-1186537
|
[
"Sc",
"Pm"
] |
[
61,
61,
61,
61,
61,
61,
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": 5.072402477264404,
"b": 5.072402477264404,
"c": 9.884450912475586,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Pm3Sc
|
hard_negative
| false
| null | 0
| 0.058184
| 0.058184
| true
|
[
"metallic"
] | null |
mp-1186540
|
[
"Pm",
"Sm"
] |
[
61,
61,
61,
61,
61,
61,
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": 5.158608436584473,
"b": 5.158608436584473,
"c": 10.338232040405273,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Pm3Sm
|
hard_negative
| false
| null | 0
| 0.020104
| 0.020104
| true
|
[
"metallic"
] | null |
mp-1186545
|
[
"Pm",
"Th"
] |
[
61,
61,
61,
61,
61,
61,
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": 5.160336017608643,
"b": 5.160336017608643,
"c": 10.202445983886719,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Pm3Th
|
hard_negative
| false
| null | 0
| 0.073015
| 0.073015
| true
|
[
"metallic"
] | null |
mp-1186563
|
[
"Pm",
"Er"
] |
[
61,
61,
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": 5.014461517333984,
"b": 5.014461517333984,
"c": 10.002984046936035,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
PmEr3
|
hard_negative
| false
| null | 0
| 0.057704
| 0.057704
| true
|
[
"metallic"
] | null |
mp-1186564
|
[
"Pm",
"Gd"
] |
[
61,
61,
61,
61,
61,
61,
64,
64
] | 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": 5.148331165313721,
"b": 5.148331165313721,
"c": 10.311264038085938,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Pm3Gd
|
hard_negative
| false
| null | 0
| 0.04478
| 0.04478
| true
|
[
"metallic"
] | null |
mp-1186584
|
[
"Pm",
"Ho"
] |
[
61,
61,
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": 5.034520626068115,
"b": 5.034520626068115,
"c": 10.073123931884766,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
PmHo3
|
hard_negative
| false
| null | 0
| 0.0441
| 0.0441
| true
|
[
"metallic"
] | null |
mp-1186590
|
[
"Sc",
"Pu"
] |
[
94,
94,
94,
94,
94,
94,
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": 4.578690052032471,
"b": 4.578690052032471,
"c": 8.792756080627441,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Pu3Sc
|
hard_negative
| false
| null | 0
| 0.224095
| 0.224095
| true
|
[
"metallic"
] | null |
mp-1186622
|
[
"P",
"Pm"
] |
[
61,
61,
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": 3.9593451023101807,
"b": 3.9593451023101807,
"c": 9.730279922485352,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
PmP3
|
hard_negative
| false
| null | 0
| 0
| -0.308641
| true
|
[
"metallic"
] | null |
mp-1186629
|
[
"Se",
"Pm"
] |
[
61,
61,
34,
34,
34,
34,
34,
34
] | 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": 4.161774158477783,
"b": 4.161774158477783,
"c": 10.759056091308594,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
PmSe3
|
hard_negative
| false
| null | 0
| 0.187813
| -1.2246
| true
|
[
"metallic"
] | null |
mp-1186633
|
[
"Pm",
"Sm"
] |
[
61,
61,
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": 5.143554210662842,
"b": 5.143554210662842,
"c": 10.290162086486816,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
PmSm3
|
hard_negative
| false
| null | 0
| 0.020716
| 0.020716
| true
|
[
"metallic"
] | null |
mp-1186635
|
[
"Pr",
"Pm"
] |
[
61,
61,
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": 5.253550052642822,
"b": 5.253550052642822,
"c": 10.443147659301758,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
PmPr3
|
hard_negative
| false
| null | 0
| 0.030036
| 0.030036
| true
|
[
"metallic"
] | null |
mp-1186642
|
[
"Sc",
"Pm"
] |
[
61,
61,
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": 4.892923831939697,
"b": 4.892923831939697,
"c": 9.06955337524414,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
PmSc3
|
hard_negative
| false
| null | 0
| 0.102253
| 0.102253
| true
|
[
"metallic"
] | null |
mp-1186666
|
[
"Pm",
"Pu"
] |
[
61,
61,
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": 4.842455863952637,
"b": 4.842455863952637,
"c": 9.904155731201172,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
PmPu3
|
hard_negative
| false
| null | 0
| 0.225865
| 0.225865
| true
|
[
"metallic"
] | null |
mp-1186671
|
[
"Y",
"Pm"
] |
[
61,
61,
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": 5.12068510055542,
"b": 5.12068510055542,
"c": 10.226191520690918,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
PmY3
|
hard_negative
| false
| null | 0
| 0.073238
| 0.073238
| true
|
[
"metallic"
] | null |
mp-1186691
|
[
"Mg",
"Pr"
] |
[
59,
59,
59,
59,
12,
12
] | 6
| 2
|
[
[
0.5,
0.5,
0.15384410321712494
],
[
0,
0,
0.34615591168403625
],
[
0,
0,
0.6538441181182861
],
[
0.5,
0.5,
0.8461558818817139
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 3.9107096195220947,
"b": 3.9107096195220947,
"c": 12.745757102966309,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Pr2Mg
|
hard_negative
| false
| null | 0
| 0.032408
| -0.027925
| true
|
[
"metallic"
] | null |
mp-1186699
|
[
"Pr",
"Au"
] |
[
59,
59,
59,
59,
59,
59,
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": 4.733662128448486,
"b": 4.733662128448486,
"c": 10.523384094238281,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Pr3Au
|
hard_negative
| false
| null | 0
| 0.204125
| -0.191963
| true
|
[
"metallic"
] | null |
mp-1186706
|
[
"Cr",
"Pr"
] |
[
59,
59,
59,
59,
59,
59,
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": 4.86267614364624,
"b": 4.86267614364624,
"c": 10.433547973632812,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Pr3Cr
|
hard_negative
| false
| null | 0
| 0.373273
| 0.373273
| true
|
[
"metallic"
] | null |
mp-1186708
|
[
"Pr",
"Dy"
] |
[
59,
59,
59,
59,
59,
59,
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": 5.222949028015137,
"b": 5.222949028015137,
"c": 10.31010627746582,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Pr3Dy
|
hard_negative
| false
| null | 0
| 0.037359
| 0.037359
| true
|
[
"metallic"
] | null |
mp-1186711
|
[
"Pr",
"Er"
] |
[
59,
59,
59,
59,
59,
59,
68,
68
] | 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": 5.214211940765381,
"b": 5.214211940765381,
"c": 10.254748344421387,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Pr3Er
|
hard_negative
| false
| null | 0
| 0.043438
| 0.043438
| true
|
[
"metallic"
] | null |
mp-1186716
|
[
"Pr",
"Hg"
] |
[
59,
59,
59,
59,
59,
59,
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": 4.86325216293335,
"b": 4.86325216293335,
"c": 10.491598129272461,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Pr3Hg
|
hard_negative
| false
| null | 0
| 0.079659
| -0.194385
| true
|
[
"metallic"
] | null |
mp-1186717
|
[
"Pr",
"Hf"
] |
[
59,
59,
59,
59,
59,
59,
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": 5.050777912139893,
"b": 5.050777912139893,
"c": 9.953435897827148,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Pr3Hf
|
hard_negative
| false
| null | 0
| 0.214493
| 0.214493
| true
|
[
"metallic"
] | null |
mp-1186718
|
[
"Mg",
"Pr"
] |
[
59,
59,
59,
59,
59,
59,
12,
12
] | 8
| 2
|
[
[
0.5,
0.5,
0
],
[
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,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 5.029584884643555,
"b": 5.029584884643555,
"c": 10.290725708007812,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Pr3Mg
|
hard_negative
| false
| null | 0
| 0.058457
| 0.013207
| true
|
[
"metallic"
] | null |
mp-1186719
|
[
"Pr",
"Ho"
] |
[
59,
59,
59,
59,
59,
59,
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": 5.208015441894531,
"b": 5.208015441894531,
"c": 10.323114395141602,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Pr3Ho
|
hard_negative
| false
| null | 0
| 0.038928
| 0.038928
| true
|
[
"metallic"
] | null |
mp-1186722
|
[
"Nb",
"Pr"
] |
[
59,
59,
59,
59,
59,
59,
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": 4.9795122146606445,
"b": 4.9795122146606445,
"c": 9.657022476196289,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Pr3Nb
|
hard_negative
| false
| null | 0
| 0.398208
| 0.398208
| true
|
[
"metallic"
] | null |
mp-1186724
|
[
"Pr",
"Nd"
] |
[
59,
59,
59,
59,
59,
59,
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": 5.258871078491211,
"b": 5.258871078491211,
"c": 10.486330032348633,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Pr3Nd
|
hard_negative
| false
| null | 0
| 0.028783
| 0.028783
| true
|
[
"metallic"
] | null |
mp-1186725
|
[
"Pd",
"Pr"
] |
[
59,
59,
59,
59,
59,
59,
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": 4.602126121520996,
"b": 4.602126121520996,
"c": 10.927359580993652,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Pr3Pd
|
hard_negative
| false
| null | 0
| 0.280801
| -0.113185
| true
|
[
"metallic"
] | null |
mp-1186726
|
[
"Pr",
"Sm"
] |
[
59,
59,
59,
59,
59,
59,
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": 5.243729591369629,
"b": 5.243729591369629,
"c": 10.423871040344238,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Pr3Sm
|
hard_negative
| false
| null | 0
| 0.030932
| 0.030932
| true
|
[
"metallic"
] | null |
mp-1186728
|
[
"Sc",
"Pr"
] |
[
59,
59,
59,
59,
59,
59,
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": 5.098555564880371,
"b": 5.098555564880371,
"c": 10.181550025939941,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Pr3Sc
|
hard_negative
| false
| null | 0
| 0.069455
| 0.069455
| true
|
[
"metallic"
] | null |
mp-1186735
|
[
"Y",
"Pr"
] |
[
59,
59,
59,
59,
59,
59,
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": 5.241797924041748,
"b": 5.241797924041748,
"c": 10.346796989440918,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Pr3Y
|
hard_negative
| false
| null | 0
| 0.044607
| 0.044607
| true
|
[
"metallic"
] | null |
mp-1186736
|
[
"Zn",
"Pr"
] |
[
59,
59,
59,
59,
59,
59,
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": 4.864625930786133,
"b": 4.864625930786133,
"c": 10.139151573181152,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Pr3Zn
|
hard_negative
| false
| null | 0
| 0.128915
| -0.020592
| true
|
[
"metallic"
] | null |
mp-1186737
|
[
"Pr",
"Th"
] |
[
59,
59,
59,
59,
59,
59,
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": 5.198244094848633,
"b": 5.198244094848633,
"c": 10.430139541625977,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Pr3Th
|
hard_negative
| false
| null | 0
| 0.082705
| 0.082705
| true
|
[
"metallic"
] | null |
mp-1186746
|
[
"Pr",
"Bi"
] |
[
59,
59,
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": 4.699821949005127,
"b": 4.699821949005127,
"c": 11.3530912399292,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
PrBi3
|
hard_negative
| false
| null | 0
| 0.102875
| -0.488212
| true
|
[
"metallic"
] | null |
mp-1186777
|
[
"Sr",
"Tb"
] |
[
38,
38,
65,
65,
65,
65,
65,
65
] | 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": 5.204689979553223,
"b": 5.204689979553223,
"c": 10.4540376663208,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
SrTb3
|
hard_negative
| false
| null | 0
| 0.200959
| 0.200959
| true
|
[
"metallic"
] | null |
mp-1186790
|
[
"Pr",
"Eu"
] |
[
59,
59,
59,
59,
59,
59,
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": 5.4726338386535645,
"b": 5.4726338386535645,
"c": 11.169659614562988,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Pr3Eu
|
hard_negative
| false
| null | 0
| 0.088655
| 0.088655
| true
|
[
"metallic"
] | null |
mp-1186803
|
[
"S",
"Pu"
] |
[
94,
94,
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": 3.877124071121216,
"b": 3.877124071121216,
"c": 9.5899076461792,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
PuS3
|
hard_negative
| false
| null | 0
| 0.192626
| -1.003099
| true
|
[
"sulfide",
"metallic"
] | null |
mp-1186815
|
[
"I",
"Pu"
] |
[
94,
94,
94,
94,
94,
94,
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": 4.485159873962402,
"b": 4.485159873962402,
"c": 9.563916206359863,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Pu3I
|
hard_negative
| false
| null | 0
| 0.838483
| 0.413095
| true
|
[
"halide",
"metallic"
] | null |
mp-1186820
|
[
"Sb",
"Pu"
] |
[
94,
94,
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": 4.3981099128723145,
"b": 4.3981099128723145,
"c": 10.484352111816406,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
PuSb3
|
hard_negative
| false
| null | 0
| 0.000554
| -0.367506
| true
|
[
"metallic"
] | null |
mp-1186822
|
[
"Th",
"Pu"
] |
[
94,
94,
94,
94,
94,
94,
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": 4.689003944396973,
"b": 4.689003944396973,
"c": 9.455787658691406,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Pu3Th
|
hard_negative
| false
| null | 0
| 0.215458
| 0.215458
| true
|
[
"metallic"
] | null |
mp-1186826
|
[
"Ta",
"Pu"
] |
[
94,
94,
94,
94,
94,
94,
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": 4.52483606338501,
"b": 4.52483606338501,
"c": 8.690715789794922,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Pu3Ta
|
hard_negative
| false
| null | 0
| 0.205702
| 0.205702
| true
|
[
"metallic"
] | null |
mp-1186827
|
[
"Zr",
"Pu"
] |
[
94,
94,
94,
94,
94,
94,
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": 4.596139907836914,
"b": 4.596139907836914,
"c": 8.995847702026367,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Pu3Zr
|
hard_negative
| false
| null | 0
| 0.203147
| 0.203147
| true
|
[
"metallic"
] | null |
mp-1186842
|
[
"Cr",
"Rb"
] |
[
37,
37,
37,
37,
37,
37,
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": 6.297659873962402,
"b": 6.297659873962402,
"c": 12.127832412719727,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Rb3Cr
|
hard_negative
| false
| null | 0
| 0.708881
| 0.708881
| true
|
[
"metallic"
] | null |
mp-1186843
|
[
"Ru",
"Pu"
] |
[
94,
94,
94,
94,
94,
94,
44,
44
] | 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": 4.025701999664307,
"b": 4.025701999664307,
"c": 10.200471878051758,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Pu3Ru
|
hard_negative
| false
| null | 0
| 0.455429
| 0.455429
| true
|
[
"metallic"
] | null |
mp-1186847
|
[
"Pa",
"Pu"
] |
[
94,
94,
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": 4.520127773284912,
"b": 4.520127773284912,
"c": 9.176752090454102,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
PuPa3
|
hard_negative
| false
| null | 0
| 0.381048
| 0.381048
| true
|
[
"metallic"
] | null |
mp-1186856
|
[
"Np",
"Pu"
] |
[
94,
94,
94,
94,
94,
94,
93,
93
] | 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": 4.521636009216309,
"b": 4.521636009216309,
"c": 8.943145751953125,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Pu3Np
|
hard_negative
| false
| null | 0
| 0.204636
| 0.204636
| true
|
[
"metallic"
] | null |
mp-1186863
|
[
"Rb",
"Nd"
] |
[
37,
37,
37,
37,
37,
37,
60,
60
] | 8
| 2
|
[
[
0.5,
0.5,
0
],
[
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,
0,
0
],
[
0.5,
0.5,
0.5
]
] |
{
"a": 6.148655891418457,
"b": 6.148655891418457,
"c": 13.995763778686523,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Rb3Nd
|
hard_negative
| false
| null | 0
| 0.600768
| 0.600768
| true
|
[
"metallic"
] | null |
mp-1186864
|
[
"Rb",
"Pm"
] |
[
37,
37,
37,
37,
37,
37,
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": 6.152659893035889,
"b": 6.152659893035889,
"c": 14.010177612304688,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Rb3Pm
|
hard_negative
| false
| null | 0
| 0.611989
| 0.611989
| true
|
[
"metallic"
] | null |
mp-1186867
|
[
"Si",
"Rb"
] |
[
37,
37,
37,
37,
37,
37,
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": 6.262882232666016,
"b": 6.262882232666016,
"c": 9.255459785461426,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Rb3Si
|
hard_negative
| false
| null | 0
| 0.391268
| 0.388461
| true
|
[
"metallic"
] | null |
mp-1186870
|
[
"Rb",
"Ta"
] |
[
37,
37,
37,
37,
37,
37,
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": 6.108861923217773,
"b": 6.108861923217773,
"c": 11.47566032409668,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Rb3Ta
|
hard_negative
| false
| null | 0
| 1.455524
| 1.455524
| true
|
[
"metallic"
] | null |
mp-1186871
|
[
"Rb",
"Rh"
] |
[
37,
37,
37,
37,
37,
37,
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": 5.953321933746338,
"b": 5.953321933746338,
"c": 8.76331615447998,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Rb3Rh
|
hard_negative
| false
| null | 0
| 0.646448
| 0.646448
| true
|
[
"metallic"
] | null |
mp-1186874
|
[
"Rb",
"Sm"
] |
[
37,
37,
37,
37,
37,
37,
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": 6.147255897521973,
"b": 6.147255897521973,
"c": 13.92903995513916,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Rb3Sm
|
hard_negative
| false
| null | 0
| 0.61866
| 0.61866
| true
|
[
"metallic"
] | null |
mp-1186875
|
[
"Rb",
"Tb"
] |
[
37,
37,
37,
37,
37,
37,
65,
65
] | 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": 6.239491939544678,
"b": 6.239491939544678,
"c": 13.610772132873535,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Rb3Tb
|
hard_negative
| false
| null | 0
| 0.639847
| 0.639847
| true
|
[
"metallic"
] | null |
mp-1186879
|
[
"Rb",
"Sr"
] |
[
37,
37,
37,
37,
37,
37,
38,
38
] | 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": 6.82354211807251,
"b": 6.82354211807251,
"c": 13.864919662475586,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Rb3Sr
|
hard_negative
| false
| null | 0
| 0.150087
| 0.150087
| true
|
[
"metallic"
] | null |
mp-1186883
|
[
"Rb",
"Y"
] |
[
37,
37,
37,
37,
37,
37,
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": 6.29626989364624,
"b": 6.29626989364624,
"c": 13.379427909851074,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Rb3Y
|
hard_negative
| false
| null | 0
| 0.630789
| 0.630789
| true
|
[
"metallic"
] | null |
mp-1186889
|
[
"Rb",
"Zr"
] |
[
37,
37,
37,
37,
37,
37,
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": 6.27468204498291,
"b": 6.27468204498291,
"c": 12.146065711975098,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Rb3Zr
|
hard_negative
| false
| null | 0
| 1.025196
| 1.025196
| true
|
[
"metallic"
] | null |
mp-1186891
|
[
"Rb",
"Yb"
] |
[
37,
37,
37,
37,
37,
37,
70,
70
] | 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": 7.168410778045654,
"b": 7.168410778045654,
"c": 10.452600479125977,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Rb3Yb
|
hard_negative
| false
| null | 0
| 0.6817
| 0.6817
| true
|
[
"metallic"
] | null |
mp-1186904
|
[
"Rb",
"Eu"
] |
[
37,
37,
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": 5.9620041847229,
"b": 5.9620041847229,
"c": 12.10785961151123,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
RbEu3
|
hard_negative
| false
| null | 0
| 0.272346
| 0.272346
| true
|
[
"metallic"
] | null |
mp-1186910
|
[
"Rb",
"Ce"
] |
[
37,
37,
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": 5.212950229644775,
"b": 5.212950229644775,
"c": 10.487702369689941,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
RbCe3
|
hard_negative
| false
| null | 0
| 0.7884
| 0.7884
| true
|
[
"metallic"
] | null |
mp-1186919
|
[
"Sb",
"W"
] |
[
51,
51,
51,
51,
51,
51,
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": 4.897319793701172,
"b": 4.897319793701172,
"c": 7.431213855743408,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Sb3W
|
hard_negative
| false
| null | 0
| 0.641387
| 0.641387
| true
|
[
"metallic"
] | null |
mp-1186925
|
[
"Sb",
"Au"
] |
[
51,
51,
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": 4.278759956359863,
"b": 4.278759956359863,
"c": 8.732111930847168,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
SbAu3
|
hard_negative
| false
| null | 0
| 0.123816
| 0.097951
| true
|
[
"metallic"
] | null |
mp-1186969
|
[
"Rb",
"Np"
] |
[
37,
37,
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": 4.800357818603516,
"b": 4.800357818603516,
"c": 10.418911933898926,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
RbNp3
|
hard_negative
| false
| null | 0
| 1.624576
| 1.624576
| true
|
[
"metallic"
] | null |
mp-1186972
|
[
"Sc",
"Nb"
] |
[
21,
21,
21,
21,
21,
21,
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": 4.459075927734375,
"b": 4.459075927734375,
"c": 8.91010570526123,
"alpha": 90,
"beta": 90,
"gamma": 90
}
| 139
|
Sc3Nb
|
hard_negative
| false
| null | 0
| 0.099736
| 0.099736
| true
|
[
"metallic"
] | null |
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