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-1184405 | [
"Eu",
"Th"
] | [
63,
63,
63,
63,
63,
63,
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": 5.35479211807251,
"b": 5.35479211807251,
"c": 10.789188385009766,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | Eu3Th | hard_negative | false | null | 0 | 0.219297 | 0.219297 | true | [
"metallic"
] | null |
mp-1184412 | [
"Er",
"Np"
] | [
68,
68,
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": 4.521634101867676,
"b": 4.521634101867676,
"c": 9.074986457824707,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | ErNp3 | hard_negative | false | null | 0 | 0.646017 | 0.646017 | true | [
"metallic"
] | null |
mp-1184414 | [
"Eu",
"Ta"
] | [
63,
63,
63,
63,
63,
63,
73,
73
] | 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": 5.010660171508789,
"b": 5.010660171508789,
"c": 9.587014198303223,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | Eu3Ta | hard_negative | false | null | 0 | 0.649769 | 0.649769 | true | [
"metallic"
] | null |
mp-1184425 | [
"Ga",
"Pb"
] | [
31,
31,
31,
31,
31,
31,
82,
82
] | 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": 5.182494163513184,
"b": 5.182494163513184,
"c": 6.802432060241699,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | Ga3Pb | hard_negative | false | null | 0 | 0.091092 | 0.091092 | true | [
"metallic"
] | null |
mp-1184438 | [
"Mo",
"Eu"
] | [
63,
63,
63,
63,
63,
63,
42,
42
] | 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": 5.464241981506348,
"b": 5.464241981506348,
"c": 8.357489585876465,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | Eu3Mo | hard_negative | false | null | 0 | 0.689769 | 0.689769 | true | [
"metallic"
] | null |
mp-1184439 | [
"Y",
"Eu"
] | [
63,
63,
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": 5.148762226104736,
"b": 5.148762226104736,
"c": 10.317110061645508,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | EuY3 | hard_negative | false | null | 0 | 0.087723 | 0.087723 | true | [
"metallic"
] | null |
mp-1184440 | [
"Eu",
"Re"
] | [
63,
63,
63,
63,
63,
63,
75,
75
] | 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": 4.984920024871826,
"b": 4.984920024871826,
"c": 8.793231964111328,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | Eu3Re | hard_negative | false | null | 0 | 0.584221 | 0.584221 | true | [
"metallic"
] | null |
mp-1184452 | [
"Eu",
"Ho"
] | [
63,
63,
67,
67,
67,
67,
67,
67
] | 8 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
]
] | {
"a": 4.871987819671631,
"b": 4.871987819671631,
"c": 9.792435646057129,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | EuHo3 | hard_negative | false | null | 0 | 0.139104 | 0.139104 | true | [
"metallic"
] | null |
mp-1184457 | [
"Eu",
"W"
] | [
63,
63,
63,
63,
63,
63,
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": 5.042290210723877,
"b": 5.042290210723877,
"c": 9.128273963928223,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | Eu3W | hard_negative | false | null | 0 | 0.74912 | 0.74912 | true | [
"metallic"
] | null |
mp-1184493 | [
"Ag",
"In"
] | [
49,
49,
49,
49,
49,
49,
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": 4.503824234008789,
"b": 4.503824234008789,
"c": 9.62564754486084,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | In3Ag | hard_negative | false | null | 0 | 0.072991 | 0.035487 | true | [
"metallic"
] | null |
mp-1184498 | [
"Gd",
"Ho"
] | [
64,
64,
64,
64,
64,
64,
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": 5.064891338348389,
"b": 5.064891338348389,
"c": 10.167933464050293,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | Gd3Ho | hard_negative | false | null | 0 | 0.103482 | 0.103482 | true | [
"metallic"
] | null |
mp-1184536 | [
"Gd",
"Bi"
] | [
64,
64,
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": 4.685091972351074,
"b": 4.685091972351074,
"c": 10.83686637878418,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | GdBi3 | hard_negative | false | null | 0 | 0.065237 | -0.463965 | true | [
"metallic"
] | null |
mp-1184538 | [
"Y",
"Gd"
] | [
64,
64,
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": 5.029535293579102,
"b": 5.029535293579102,
"c": 10.690374374389648,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | GdY3 | hard_negative | false | null | 0 | 0.088702 | 0.088702 | true | [
"metallic"
] | null |
mp-1184608 | [
"Pt",
"Hg"
] | [
80,
80,
80,
80,
80,
80,
78,
78
] | 8 | 2 | [
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 4.204366207122803,
"b": 4.204366207122803,
"c": 9.265064239501953,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | Hg3Pt | hard_negative | false | null | 0 | 0.268194 | 0.152822 | true | [
"metallic"
] | null |
mp-1184626 | [
"Be",
"Hf"
] | [
72,
72,
72,
72,
72,
72,
4,
4
] | 8 | 2 | [
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 4.184000015258789,
"b": 4.184000015258789,
"c": 8.70609188079834,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | Hf3Be | hard_negative | false | null | 0 | 0.17302 | 0.104203 | true | [
"metallic"
] | null |
mp-1184632 | [
"Hf",
"Hg"
] | [
72,
72,
72,
72,
72,
72,
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": 4.275839328765869,
"b": 4.275839328765869,
"c": 9.211664199829102,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | Hf3Hg | hard_negative | false | null | 0 | 0.076546 | -0.044177 | true | [
"metallic"
] | null |
mp-1184633 | [
"Sn",
"Hf"
] | [
72,
72,
72,
72,
72,
72,
50,
50
] | 8 | 2 | [
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 4.296721458435059,
"b": 4.296721458435059,
"c": 9.390647888183594,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | Hf3Sn | hard_negative | false | null | 0 | 0.011844 | -0.272866 | true | [
"metallic"
] | null |
mp-1184646 | [
"Ge",
"Au"
] | [
32,
32,
32,
32,
32,
32,
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": 4.164889812469482,
"b": 4.164889812469482,
"c": 9.039604187011719,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | Ge3Au | hard_negative | false | null | 0 | 0.238464 | 0.238464 | true | [
"metallic"
] | null |
mp-1184650 | [
"Ga",
"Hf"
] | [
72,
72,
72,
72,
72,
72,
31,
31
] | 8 | 2 | [
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 4.205986022949219,
"b": 4.205986022949219,
"c": 9.180782318115234,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | Hf3Ga | hard_negative | false | null | 0 | 0.073483 | -0.27778 | true | [
"metallic"
] | null |
mp-1184656 | [
"H",
"Pd"
] | [
1,
1,
46,
46,
46,
46,
46,
46
] | 8 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
]
] | {
"a": 3.9332380294799805,
"b": 3.9332380294799805,
"c": 7.041118144989014,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | HPd3 | hard_negative | false | null | 0 | 0.522342 | 0.477668 | true | [
"metallic"
] | null |
mp-1184658 | [
"Pd",
"Hg"
] | [
80,
80,
46,
46,
46,
46,
46,
46
] | 8 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
]
] | {
"a": 4.015781879425049,
"b": 4.015781879425049,
"c": 8.05734920501709,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | HgPd3 | hard_negative | false | null | 0 | 0 | -0.135616 | true | [
"metallic"
] | null |
mp-1184664 | [
"Ge",
"Hf"
] | [
72,
72,
72,
72,
72,
72,
32,
32
] | 8 | 2 | [
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 4.187948226928711,
"b": 4.187948226928711,
"c": 9.276140213012695,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | Hf3Ge | hard_negative | false | null | 0 | 0.241361 | -0.299428 | true | [
"metallic"
] | null |
mp-1184665 | [
"O",
"Ge"
] | [
32,
32,
32,
32,
32,
32,
8,
8
] | 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": 3.684011936187744,
"b": 3.684011936187744,
"c": 9.757758140563965,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | Ge3O | hard_negative | false | null | 0 | 0.890467 | 0.081721 | true | [
"oxide",
"metallic"
] | null |
mp-1184671 | [
"Ge",
"Mo"
] | [
32,
32,
32,
32,
32,
32,
42,
42
] | 8 | 2 | [
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.9885740280151367,
"b": 3.9885740280151367,
"c": 8.490632057189941,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | Ge3Mo | hard_negative | false | null | 0 | 0.550928 | 0.437788 | true | [
"metallic"
] | null |
mp-1184679 | [
"Hg",
"Bi"
] | [
80,
80,
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
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[
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0.5,
0
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[
0.5,
0,
0.75
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[
0,
0.5,
0.75
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[
0,
0,
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] | {
"a": 5.108426094055176,
"b": 5.108426094055176,
"c": 9.270088195800781,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | HgBi3 | hard_negative | false | null | 0 | 0.10588 | 0.10588 | true | [
"metallic"
] | null |
mp-1184694 | [
"Hf",
"Bi"
] | [
72,
72,
83,
83,
83,
83,
83,
83
] | 8 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0,
0.5,
0.25
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[
0.5,
0,
0.25
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[
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0.5,
0
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[
0.5,
0,
0.75
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[
0,
0.5,
0.75
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[
0,
0,
0.5
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] | {
"a": 4.630926132202148,
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"c": 10.530447959899902,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | HfBi3 | hard_negative | false | null | 0 | 0.281371 | 0.168274 | true | [
"metallic"
] | null |
mp-1184695 | [
"Ho",
"Er"
] | [
67,
67,
67,
67,
67,
67,
68,
68
] | 8 | 2 | [
[
0,
0.5,
0.25
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[
0.5,
0,
0.25
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[
0.5,
0.5,
0
],
[
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0.75
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[
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[
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0.5
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[
0,
0,
0
],
[
0.5,
0.5,
0.5
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] | {
"a": 4.984748840332031,
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"c": 9.953913688659668,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | Ho3Er | hard_negative | false | null | 0 | 0.05638 | 0.05062 | true | [
"metallic"
] | null |
mp-1184704 | [
"Cu",
"Hf"
] | [
72,
72,
29,
29,
29,
29,
29,
29
] | 8 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
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[
0,
0.5,
0.25
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[
0.5,
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0.25
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[
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0
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[
0.5,
0,
0.75
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[
0,
0.5,
0.75
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[
0,
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0.5
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] | {
"a": 4.001175880432129,
"b": 4.001175880432129,
"c": 7.103878021240234,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | HfCu3 | hard_negative | false | null | 0 | 0.072495 | -0.089767 | true | [
"metallic"
] | null |
mp-1184710 | [
"As",
"Ho"
] | [
67,
67,
67,
67,
67,
67,
33,
33
] | 8 | 2 | [
[
0,
0.5,
0.25
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[
0.5,
0,
0.25
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[
0.5,
0.5,
0
],
[
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[
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[
0,
0,
0.5
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[
0,
0,
0
],
[
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0.5
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] | {
"a": 4.468677997589111,
"b": 4.468677997589111,
"c": 10.299041748046875,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | Ho3As | hard_negative | false | null | 0 | 0.360216 | -0.539094 | true | [
"metallic"
] | null |
mp-1184729 | [
"Co",
"Hf"
] | [
72,
72,
72,
72,
72,
72,
27,
27
] | 8 | 2 | [
[
0,
0.5,
0.25
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[
0.5,
0,
0.25
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[
0.5,
0.5,
0
],
[
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0.75
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[
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[
0,
0,
0.5
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[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.976762056350708,
"b": 3.976762056350708,
"c": 9.545220375061035,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | Hf3Co | hard_negative | false | null | 0 | 0.338799 | 0.121604 | true | [
"metallic"
] | null |
mp-1184743 | [
"Gd",
"Ho"
] | [
64,
64,
67,
67,
67,
67,
67,
67
] | 8 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
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[
0,
0.5,
0.25
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[
0.5,
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[
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0
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[
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0,
0.75
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[
0,
0.5,
0.75
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[
0,
0,
0.5
]
] | {
"a": 5.010125160217285,
"b": 5.010125160217285,
"c": 10.087471961975098,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | GdHo3 | hard_negative | false | null | 0 | 0.06505 | 0.06505 | true | [
"metallic"
] | null |
mp-1184745 | [
"Ho",
"Bi"
] | [
67,
67,
83,
83,
83,
83,
83,
83
] | 8 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
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[
0,
0.5,
0.25
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[
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0,
0.25
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[
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0
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[
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[
0,
0.5,
0.75
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[
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0,
0.5
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] | {
"a": 4.67529821395874,
"b": 4.67529821395874,
"c": 11.020009994506836,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | HoBi3 | hard_negative | false | null | 0 | 0.103482 | -0.419158 | true | [
"metallic"
] | null |
mp-1184772 | [
"Hf",
"Pb"
] | [
72,
72,
72,
72,
72,
72,
82,
82
] | 8 | 2 | [
[
0,
0.5,
0.25
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[
0.5,
0,
0.25
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[
0.5,
0.5,
0
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[
0.5,
0,
0.75
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[
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[
0,
0,
0.5
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[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 4.327760696411133,
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"c": 9.499926567077637,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | Hf3Pb | hard_negative | false | null | 0 | 0 | -0.071515 | true | [
"metallic"
] | null |
mp-1184781 | [
"Ge",
"In"
] | [
49,
49,
32,
32,
32,
32,
32,
32
] | 8 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0,
0.5,
0.25
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[
0.5,
0,
0.25
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[
0.5,
0.5,
0
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[
0.5,
0,
0.75
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[
0,
0.5,
0.75
],
[
0,
0,
0.5
]
] | {
"a": 4.2680158615112305,
"b": 4.2680158615112305,
"c": 9.627464294433594,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | InGe3 | hard_negative | false | null | 0 | 0.27797 | 0.27797 | true | [
"metallic"
] | null |
mp-1184782 | [
"Ge",
"Pb"
] | [
32,
32,
82,
82,
82,
82,
82,
82
] | 8 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
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[
0,
0.5,
0.25
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[
0.5,
0,
0.25
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[
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0
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[
0.5,
0,
0.75
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[
0,
0.5,
0.75
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[
0,
0,
0.5
]
] | {
"a": 4.876719951629639,
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"c": 9.861200332641602,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | GePb3 | hard_negative | false | null | 0 | 0.143421 | 0.143421 | true | [
"metallic"
] | null |
mp-1184783 | [
"Se",
"Ir"
] | [
77,
77,
77,
77,
77,
77,
34,
34
] | 8 | 2 | [
[
0,
0.5,
0.25
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[
0.5,
0,
0.25
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[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
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[
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[
0,
0,
0.5
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[
0,
0,
0
],
[
0.5,
0.5,
0.5
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] | {
"a": 4.029848098754883,
"b": 4.029848098754883,
"c": 7.57269811630249,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | Ir3Se | hard_negative | false | null | 0 | 0.68244 | 0.523462 | true | [
"metallic"
] | null |
mp-1184784 | [
"Pd",
"Ir"
] | [
77,
77,
46,
46,
46,
46,
46,
46
] | 8 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0,
0.5,
0.25
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[
0.5,
0,
0.25
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[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
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[
0,
0.5,
0.75
],
[
0,
0,
0.5
]
] | {
"a": 3.9389259815216064,
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"c": 7.785699844360352,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | IrPd3 | hard_negative | false | null | 0 | 0.127582 | 0.127582 | true | [
"metallic"
] | null |
mp-1184793 | [
"Hf",
"Np"
] | [
72,
72,
93,
93,
93,
93,
93,
93
] | 8 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0,
0.5,
0.25
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[
0.5,
0,
0.25
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[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
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[
0,
0.5,
0.75
],
[
0,
0,
0.5
]
] | {
"a": 4.369157791137695,
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"c": 9.123373985290527,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | HfNp3 | hard_negative | false | null | 0 | 0.535886 | 0.535886 | true | [
"metallic"
] | null |
mp-1184794 | [
"Rh",
"Ir"
] | [
77,
77,
45,
45,
45,
45,
45,
45
] | 8 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0,
0.5,
0.25
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[
0.5,
0,
0.25
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[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
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[
0,
0.5,
0.75
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[
0,
0,
0.5
]
] | {
"a": 3.8135557174682617,
"b": 3.8135557174682617,
"c": 7.638972759246826,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | IrRh3 | hard_negative | false | null | 0 | 0 | -0.019204 | true | [
"metallic"
] | null |
mp-1184797 | [
"Ir",
"Pb"
] | [
77,
77,
77,
77,
77,
77,
82,
82
] | 8 | 2 | [
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
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[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
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[
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0.75
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[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 4.122429847717285,
"b": 4.122429847717285,
"c": 7.832268238067627,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | Ir3Pb | hard_negative | false | null | 0 | 0.461117 | 0.461117 | true | [
"metallic"
] | null |
mp-1184801 | [
"Gd",
"U"
] | [
64,
64,
92,
92,
92,
92,
92,
92
] | 8 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
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[
0.5,
0,
0.25
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[
0.5,
0.5,
0
],
[
0,
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0.25
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[
0,
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0.75
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[
0,
0,
0.5
],
[
0.5,
0,
0.75
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] | {
"a": 4.371580123901367,
"b": 4.371580123901367,
"c": 9.628485679626465,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | GdU3 | hard_negative | false | null | 0 | 0.522556 | 0.522556 | true | [
"metallic"
] | null |
mp-1184857 | [
"In",
"Pt"
] | [
49,
49,
49,
49,
49,
49,
78,
78
] | 8 | 2 | [
[
0,
0.5,
0.25
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[
0.5,
0,
0.25
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[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
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[
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[
0,
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0.5
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[
0,
0,
0
],
[
0.5,
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0.5
]
] | {
"a": 4.380092144012451,
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"c": 9.052289962768555,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | In3Pt | hard_negative | false | null | 0 | 0.339964 | -0.113426 | true | [
"metallic"
] | null |
mp-1184875 | [
"K",
"Ir"
] | [
19,
19,
19,
19,
19,
19,
77,
77
] | 8 | 2 | [
[
0,
0.5,
0.25
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[
0.5,
0,
0.25
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[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
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[
0,
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0.75
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[
0,
0,
0.5
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[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 5.5004119873046875,
"b": 5.5004119873046875,
"c": 8.436309814453125,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | K3Ir | hard_negative | false | null | 0 | 0.722916 | 0.722916 | true | [
"metallic"
] | null |
mp-1184882 | [
"Al",
"K"
] | [
19,
19,
19,
19,
19,
19,
13,
13
] | 8 | 2 | [
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
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[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
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[
0,
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0.75
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[
0,
0,
0.5
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[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 5.7991838455200195,
"b": 5.7991838455200195,
"c": 11.13127613067627,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | K3Al | hard_negative | false | null | 0 | 0.307603 | 0.307603 | true | [
"metallic"
] | null |
mp-1184897 | [
"K",
"Nb"
] | [
19,
19,
19,
19,
19,
19,
41,
41
] | 8 | 2 | [
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
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[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
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[
0,
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0.75
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[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 5.928125858306885,
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"c": 11.019082069396973,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | K3Nb | hard_negative | false | null | 0 | 1.13891 | 1.13891 | true | [
"metallic"
] | null |
mp-1184898 | [
"K",
"Ga"
] | [
19,
19,
19,
19,
19,
19,
31,
31
] | 8 | 2 | [
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
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[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
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[
0,
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[
0,
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0.5
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[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 5.767955780029297,
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"c": 11.29938793182373,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | K3Ga | hard_negative | false | null | 0 | 0.237455 | 0.179917 | true | [
"metallic"
] | null |
mp-1184900 | [
"K",
"Dy"
] | [
19,
19,
19,
19,
19,
19,
66,
66
] | 8 | 2 | [
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
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[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
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[
0,
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[
0,
0,
0.5
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[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 5.824923992156982,
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"c": 13.28983211517334,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | K3Dy | hard_negative | false | null | 0 | 0.588597 | 0.588597 | true | [
"metallic"
] | null |
mp-1184903 | [
"K",
"Nd"
] | [
19,
19,
19,
19,
19,
19,
60,
60
] | 8 | 2 | [
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0,
0.5,
0.25
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[
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0,
0.25
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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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] | {
"a": 5.8162522315979,
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"c": 13.439618110656738,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | K3Nd | hard_negative | false | null | 0 | 0.54587 | 0.54587 | true | [
"metallic"
] | null |
mp-1184904 | [
"Ga",
"In"
] | [
49,
49,
49,
49,
49,
49,
31,
31
] | 8 | 2 | [
[
0,
0.5,
0.25
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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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0,
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[
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] | {
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"c": 9.001204490661621,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | In3Ga | hard_negative | false | null | 0 | 0.065144 | 0.065144 | true | [
"metallic"
] | null |
mp-1184907 | [
"K",
"Cd"
] | [
19,
19,
19,
19,
19,
19,
48,
48
] | 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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[
0,
0,
0
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[
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] | {
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"c": 9.476842880249023,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | K3Cd | hard_negative | false | null | 0 | 0.101463 | 0.066955 | true | [
"metallic"
] | null |
mp-1184908 | [
"Ho",
"U"
] | [
67,
67,
92,
92,
92,
92,
92,
92
] | 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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] | {
"a": 4.374080181121826,
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"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | HoU3 | hard_negative | false | null | 0 | 0.525822 | 0.525822 | true | [
"metallic"
] | null |
mp-1184910 | [
"K",
"Ba"
] | [
19,
19,
19,
19,
19,
19,
56,
56
] | 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": 6.277013778686523,
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"c": 14.381770133972168,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | K3Ba | hard_negative | false | null | 0 | 0.144007 | 0.144007 | true | [
"metallic"
] | null |
mp-1184916 | [
"K",
"Mn"
] | [
19,
19,
19,
19,
19,
19,
25,
25
] | 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": 5.932765960693359,
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"c": 11.204626083374023,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | K3Mn | hard_negative | false | null | 0 | 0.650733 | 0.650733 | true | [
"metallic"
] | null |
mp-1184918 | [
"Li",
"K"
] | [
19,
19,
19,
19,
19,
19,
3,
3
] | 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": 6.10137414932251,
"b": 6.10137414932251,
"c": 12.474271774291992,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | K3Li | hard_negative | true | 2 | 0 | 0.122504 | 0.122504 | true | [
"li",
"metallic"
] | null |
mp-1184923 | [
"K",
"Hf"
] | [
19,
19,
19,
19,
19,
19,
72,
72
] | 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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"c": 12.410967826843262,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | K3Hf | hard_negative | false | null | 0 | 1.142786 | 1.142786 | true | [
"metallic"
] | null |
mp-1184925 | [
"K",
"Cr"
] | [
19,
19,
19,
19,
19,
19,
24,
24
] | 8 | 2 | [
[
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0.5,
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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"c": 11.158665657043457,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | K3Cr | hard_negative | false | null | 0 | 0.673633 | 0.673633 | true | [
"metallic"
] | null |
mp-1184929 | [
"Ni",
"In"
] | [
49,
49,
49,
49,
49,
49,
28,
28
] | 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": 4.309835910797119,
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"c": 9.067416191101074,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | In3Ni | hard_negative | false | null | 0 | 0.334486 | 0.195282 | true | [
"metallic"
] | null |
mp-1184931 | [
"Ho",
"Np"
] | [
67,
67,
93,
93,
93,
93,
93,
93
] | 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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] | {
"a": 4.561131954193115,
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"c": 9.172050476074219,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | HoNp3 | hard_negative | false | null | 0 | 0.658142 | 0.658142 | true | [
"metallic"
] | null |
mp-1184938 | [
"H",
"K"
] | [
19,
19,
1,
1,
1,
1,
1,
1
] | 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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[
0,
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[
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] | {
"a": 4.148250102996826,
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"c": 6.313169956207275,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | KH3 | hard_negative | false | null | 0 | 1.104807 | 0.960021 | true | [
"metallic"
] | null |
mp-1185026 | [
"Li",
"K"
] | [
19,
19,
3,
3,
3,
3,
3,
3
] | 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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[
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] | {
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"c": 10.531696319580078,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | KLi3 | hard_negative | true | 6 | 0 | 0.178433 | 0.178433 | true | [
"li",
"metallic"
] | null |
mp-1185042 | [
"K",
"Hg"
] | [
19,
19,
80,
80,
80,
80,
80,
80
] | 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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] | {
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"c": 9.14133358001709,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | KHg3 | hard_negative | false | null | 0 | 0.030033 | -0.222368 | true | [
"metallic"
] | null |
mp-1185047 | [
"Mg",
"K"
] | [
19,
19,
12,
12,
12,
12,
12,
12
] | 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": 5.302080154418945,
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"c": 8.497491836547852,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | KMg3 | hard_negative | false | null | 0 | 0.235045 | 0.235045 | true | [
"metallic"
] | null |
mp-1185059 | [
"K",
"Ru"
] | [
19,
19,
19,
19,
19,
19,
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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[
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] | {
"a": 5.906191825866699,
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"c": 8.866997718811035,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | K3Ru | hard_negative | false | null | 0 | 1.050007 | 1.050007 | true | [
"metallic"
] | null |
mp-1185063 | [
"K",
"Pm"
] | [
19,
19,
61,
61,
61,
61,
61,
61
] | 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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[
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] | {
"a": 5.26516580581665,
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"c": 10.996662139892578,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | KPm3 | hard_negative | false | null | 0 | 0.468592 | 0.468592 | true | [
"metallic"
] | null |
mp-1185066 | [
"La",
"Hg"
] | [
57,
57,
57,
57,
57,
57,
80,
80
] | 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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] | {
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"c": 10.378507614135742,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | La3Hg | hard_negative | false | null | 0 | 0.050117 | -0.239516 | true | [
"metallic"
] | null |
mp-1185067 | [
"K",
"Co"
] | [
19,
19,
19,
19,
19,
19,
27,
27
] | 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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] | {
"a": 5.909267902374268,
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"c": 10.652336120605469,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | K3Co | hard_negative | false | null | 0 | 0.814397 | 0.814397 | true | [
"metallic"
] | null |
mp-1185070 | [
"K",
"Ca"
] | [
19,
19,
20,
20,
20,
20,
20,
20
] | 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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[
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] | {
"a": 5.70249605178833,
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"c": 11.659954071044922,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | KCa3 | hard_negative | false | null | 0 | 0.167679 | 0.167679 | true | [
"metallic"
] | null |
mp-1185075 | [
"K",
"Ta"
] | [
19,
19,
19,
19,
19,
19,
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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] | {
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"c": 10.962125778198242,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | K3Ta | hard_negative | false | null | 0 | 1.408761 | 1.408761 | true | [
"metallic"
] | null |
mp-1185077 | [
"K",
"Tc"
] | [
19,
19,
19,
19,
19,
19,
43,
43
] | 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": 5.759416103363037,
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"c": 10.89907169342041,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | K3Tc | hard_negative | false | null | 0 | 1.20714 | 1.20714 | true | [
"metallic"
] | null |
mp-1185082 | [
"K",
"Yb"
] | [
19,
19,
70,
70,
70,
70,
70,
70
] | 8 | 2 | [
[
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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[
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[
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] | {
"a": 5.161088466644287,
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"c": 10.317902565002441,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | KYb3 | hard_negative | false | null | 0 | 0.584595 | 0.584595 | true | [
"metallic"
] | null |
mp-1185085 | [
"Zn",
"La"
] | [
57,
57,
57,
57,
57,
57,
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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] | {
"a": 4.875229835510254,
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"c": 10.177448272705078,
"alpha": 90,
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"gamma": 90
} | 139 | La3Zn | hard_negative | false | null | 0 | 0.09692 | -0.065753 | true | [
"metallic"
] | null |
mp-1185087 | [
"K",
"W"
] | [
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19,
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19,
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74
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} | 139 | K3W | hard_negative | false | null | 0 | 1.504486 | 1.504486 | true | [
"metallic"
] | null |
mp-1185088 | [
"K",
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] | [
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62,
62,
62,
62
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} | 139 | KSm3 | hard_negative | false | null | 0 | 0.481701 | 0.481701 | true | [
"metallic"
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mp-1185093 | [
"K",
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} | 139 | K3Os | hard_negative | false | null | 0 | 1.347619 | 1.347619 | true | [
"metallic"
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mp-1185096 | [
"Sc",
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} | 139 | La3Sc | hard_negative | false | null | 0 | 0.053742 | 0.053742 | true | [
"metallic"
] | null |
mp-1185097 | [
"K",
"Zn"
] | [
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19,
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"alpha": 90,
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} | 139 | K3Zn | hard_negative | false | null | 0 | 0.180326 | 0.154639 | true | [
"metallic"
] | null |
mp-1185103 | [
"La",
"Tl"
] | [
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} | 139 | La3Tl | hard_negative | false | null | 0 | 0.019635 | -0.218454 | true | [
"metallic"
] | null |
mp-1185109 | [
"La",
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] | [
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} | 139 | La3Ta | hard_negative | false | null | 0 | 0.428314 | 0.428314 | true | [
"metallic"
] | null |
mp-1185110 | [
"K",
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] | [
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} | 139 | K3Rh | hard_negative | false | null | 0 | 0.574015 | 0.574015 | true | [
"metallic"
] | null |
mp-1185111 | [
"K",
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19,
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59
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} | 139 | K3Pr | hard_negative | false | null | 0 | 0.532271 | 0.532271 | true | [
"metallic"
] | null |
mp-1185112 | [
"La",
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] | [
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} | 139 | La3Pm | hard_negative | false | null | 0 | 0.023894 | 0.023894 | true | [
"metallic"
] | null |
mp-1185114 | [
"K",
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] | [
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19,
19,
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} | 139 | K3Re | hard_negative | false | null | 0 | 1.501892 | 1.501892 | true | [
"metallic"
] | null |
mp-1185116 | [
"Cl",
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17
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} | 139 | La3Cl | hard_negative | false | null | 0 | 0.580272 | -0.321657 | true | [
"halide",
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] | null |
mp-1185117 | [
"Nb",
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] | [
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41,
41
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"alpha": 90,
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} | 139 | La3Nb | hard_negative | false | null | 0 | 0.354103 | 0.354103 | true | [
"metallic"
] | null |
mp-1185118 | [
"La",
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] | [
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70,
70
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} | 139 | La3Yb | hard_negative | false | null | 0 | 0.025685 | 0.025685 | true | [
"metallic"
] | null |
mp-1185119 | [
"K",
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] | [
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37,
37
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} | 139 | K3Rb | hard_negative | false | null | 0 | 0.037877 | 0.037877 | true | [
"metallic"
] | null |
mp-1185120 | [
"K",
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] | [
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19,
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81
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"alpha": 90,
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} | 139 | K3Tl | hard_negative | false | null | 0 | 0.087496 | 0.034306 | true | [
"metallic"
] | null |
mp-1185123 | [
"K",
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] | [
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19,
19,
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65
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} | 139 | K3Tb | hard_negative | false | null | 0 | 0.586192 | 0.586192 | true | [
"metallic"
] | null |
mp-1185124 | [
"La",
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] | [
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60,
60,
60,
60,
60
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} | 139 | LaNd3 | hard_negative | false | null | 0 | 0.022647 | 0.022647 | true | [
"metallic"
] | null |
mp-1185132 | [
"La",
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] | [
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59,
59
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} | 139 | LaPr3 | hard_negative | false | null | 0 | 0.030665 | 0.030665 | true | [
"metallic"
] | null |
mp-1185133 | [
"La",
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] | [
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61
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"alpha": 90,
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} | 139 | LaPm3 | hard_negative | false | null | 0 | 0.026786 | 0.026786 | true | [
"metallic"
] | null |
mp-1185139 | [
"K",
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] | [
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19,
19,
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23,
23
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"alpha": 90,
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} | 139 | K3V | hard_negative | false | null | 0 | 0.882094 | 0.882094 | true | [
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mp-1185147 | [
"La",
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62,
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"alpha": 90,
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} | 139 | La3Sm | hard_negative | false | null | 0 | 0.025317 | 0.025317 | true | [
"metallic"
] | null |
mp-1185148 | [
"Cl",
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17
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} | 139 | KCl3 | hard_negative | false | null | 0 | 0.05183 | -1.0358 | true | [
"halide",
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] | null |
mp-1185150 | [
"La",
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60
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] | {
"a": 5.297113418579102,
"b": 5.297113418579102,
"c": 10.498144149780273,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | La3Nd | hard_negative | false | null | 0 | 0.021278 | 0.021278 | true | [
"metallic"
] | null |
mp-1185152 | [
"La",
"Tb"
] | [
57,
57,
57,
57,
57,
57,
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": 5.24819803237915,
"b": 5.24819803237915,
"c": 10.46517276763916,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | La3Tb | hard_negative | false | null | 0 | 0.0284 | 0.0284 | true | [
"metallic"
] | null |
mp-1185154 | [
"La",
"Ce"
] | [
57,
57,
57,
57,
57,
57,
58,
58
] | 8 | 2 | [
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 5.055642127990723,
"b": 5.055642127990723,
"c": 10.485546112060547,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | La3Ce | hard_negative | false | null | 0 | 0.078846 | 0.078846 | true | [
"metallic"
] | null |
mp-1185156 | [
"La",
"Ce"
] | [
57,
57,
58,
58,
58,
58,
58,
58
] | 8 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
]
] | {
"a": 4.79192590713501,
"b": 4.79192590713501,
"c": 9.685724258422852,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | LaCe3 | hard_negative | false | null | 0 | 0.06555 | 0.06555 | true | [
"metallic"
] | null |
mp-1185157 | [
"K",
"Pm"
] | [
19,
19,
19,
19,
19,
19,
61,
61
] | 8 | 2 | [
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 5.802020072937012,
"b": 5.802020072937012,
"c": 13.440449714660645,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | K3Pm | hard_negative | false | null | 0 | 0.557608 | 0.557608 | true | [
"metallic"
] | null |
mp-1185160 | [
"La",
"Tm"
] | [
57,
57,
57,
57,
57,
57,
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": 5.1941351890563965,
"b": 5.1941351890563965,
"c": 10.4803466796875,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | La3Tm | hard_negative | false | null | 0 | 0.031001 | 0.031001 | true | [
"metallic"
] | null |
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