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 | [
[
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0.5,
0.25
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[
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0,
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[
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0,
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[
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[
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[
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[
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[
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] | {
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"alpha": 90,
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"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 | [
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[
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[
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[
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[
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"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
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[
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[
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[
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[
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[
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[
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] | {
"a": 5.114426612854004,
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"alpha": 90,
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"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 | [
[
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0.5,
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[
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[
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[
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[
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[
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[
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] | {
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"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 | [
[
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[
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[
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[
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[
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[
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[
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[
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] | {
"a": 4.789028167724609,
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"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 | [
[
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[
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[
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[
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[
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[
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[
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[
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] | {
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"alpha": 90,
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"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 | [
[
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0.5,
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[
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[
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[
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[
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[
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] | {
"a": 5.117227077484131,
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"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 | [
[
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0
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[
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[
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[
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[
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[
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] | {
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"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 | [
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[
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[
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[
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[
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] | {
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"alpha": 90,
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"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 | [
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] | {
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"alpha": 90,
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"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 | [
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[
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[
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[
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[
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] | {
"a": 5.188113689422607,
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"alpha": 90,
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"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 | [
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[
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[
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[
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] | {
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"alpha": 90,
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"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 | [
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[
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[
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[
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[
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] | {
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"alpha": 90,
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"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 | [
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[
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[
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[
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[
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"alpha": 90,
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"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 | [
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[
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[
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[
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] | {
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"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 | [
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[
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[
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[
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[
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[
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] | {
"a": 5.121706485748291,
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"alpha": 90,
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"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 | [
[
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[
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[
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[
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[
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] | {
"a": 5.072402477264404,
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"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 | [
[
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[
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[
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[
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[
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[
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[
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[
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] | {
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"alpha": 90,
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"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 | [
[
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[
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[
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[
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[
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[
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] | {
"a": 5.160336017608643,
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"c": 10.202445983886719,
"alpha": 90,
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"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 | [
[
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0
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[
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[
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[
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[
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[
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[
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] | {
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"alpha": 90,
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"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 | [
[
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[
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[
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[
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[
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[
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[
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] | {
"a": 5.148331165313721,
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"c": 10.311264038085938,
"alpha": 90,
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"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 | [
[
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[
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[
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[
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[
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[
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] | {
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"alpha": 90,
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"gamma": 90
} | 139 | PmHo3 | hard_negative | false | null | 0 | 0.0441 | 0.0441 | true | [
"metallic"
] | null |
mp-1186590 | [
"Sc",
"Pu"
] | [
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94,
94,
94,
94,
94,
21,
21
] | 8 | 2 | [
[
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[
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[
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[
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[
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[
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[
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[
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] | {
"a": 4.578690052032471,
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"alpha": 90,
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"gamma": 90
} | 139 | Pu3Sc | hard_negative | false | null | 0 | 0.224095 | 0.224095 | true | [
"metallic"
] | null |
mp-1186622 | [
"P",
"Pm"
] | [
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61,
15,
15,
15,
15,
15,
15
] | 8 | 2 | [
[
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[
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[
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] | {
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"beta": 90,
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} | 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 | [
[
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0,
0
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[
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[
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] | {
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"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
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"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 | [
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0
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"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 | [
[
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0
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] | {
"a": 4.892923831939697,
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"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 | [
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0
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] | {
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"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 | [
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] | {
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"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 | [
[
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"a": 3.9107096195220947,
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"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 | [
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"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 | [
[
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[
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] | {
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"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 | [
[
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] | {
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"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,
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[
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[
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] | {
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"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 | [
[
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[
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] | {
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"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 | [
[
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0.25
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[
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[
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] | {
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"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 | [
[
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0
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[
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[
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[
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[
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] | {
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"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
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[
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[
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[
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[
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[
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] | {
"a": 5.208015441894531,
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"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
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[
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[
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[
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[
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[
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[
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[
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] | {
"a": 4.9795122146606445,
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"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 | [
[
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0.25
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[
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[
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[
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[
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[
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[
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] | {
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"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,
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0.25
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[
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[
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[
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[
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[
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] | {
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"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 | [
[
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0.25
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[
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[
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[
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] | {
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"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 | [
[
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[
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[
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[
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[
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] | {
"a": 5.098555564880371,
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"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,
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[
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[
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] | {
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"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,
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[
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[
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[
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[
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[
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[
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[
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] | {
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"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 | [
[
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[
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[
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[
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[
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] | {
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"alpha": 90,
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"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,
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0
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[
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] | {
"a": 4.699821949005127,
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"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
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[
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0.5,
0.5
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[
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0.25
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[
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[
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[
0,
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[
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] | {
"a": 5.204689979553223,
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"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
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[
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[
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0
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[
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0
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[
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] | {
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"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
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[
0.5,
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0.5
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[
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[
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[
0,
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[
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] | {
"a": 3.877124071121216,
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"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
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[
0.5,
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[
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[
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[
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[
0,
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0
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[
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] | {
"a": 4.485159873962402,
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"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
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[
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[
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[
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[
0,
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[
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] | {
"a": 4.3981099128723145,
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"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
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[
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[
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0
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[
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[
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[
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[
0,
0,
0
],
[
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] | {
"a": 4.689003944396973,
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"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
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[
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[
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[
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[
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[
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[
0,
0,
0
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[
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] | {
"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
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[
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[
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[
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[
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[
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[
0,
0,
0
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[
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] | {
"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
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[
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[
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[
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[
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[
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0
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[
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] | {
"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
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[
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[
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[
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[
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[
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] | {
"a": 4.025701999664307,
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"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
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[
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[
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[
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[
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[
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] | {
"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
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[
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[
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0
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[
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[
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[
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[
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[
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] | {
"a": 4.521636009216309,
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"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
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[
0,
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[
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[
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[
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[
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[
0,
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0
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[
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] | {
"a": 6.148655891418457,
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"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
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[
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[
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[
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[
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[
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[
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0
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[
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] | {
"a": 6.152659893035889,
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"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
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[
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[
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[
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[
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[
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[
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[
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] | {
"a": 6.262882232666016,
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"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
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[
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[
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[
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[
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[
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[
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[
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] | {
"a": 6.108861923217773,
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"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
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[
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[
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[
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[
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[
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[
0,
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0
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[
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] | {
"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
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[
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[
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[
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[
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[
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[
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[
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] | {
"a": 6.147255897521973,
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"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
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[
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[
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[
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[
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[
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[
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[
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] | {
"a": 6.239491939544678,
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"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
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[
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[
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[
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[
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[
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[
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[
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] | {
"a": 6.82354211807251,
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"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
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[
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[
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[
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[
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[
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[
0,
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[
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] | {
"a": 6.29626989364624,
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"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
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[
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[
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[
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[
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[
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[
0,
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0
],
[
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0.5
]
] | {
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"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
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[
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[
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[
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[
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[
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[
0,
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[
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]
] | {
"a": 7.168410778045654,
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"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
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[
0.5,
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[
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[
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[
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[
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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