mp_id stringlengths 4 38 | elements listlengths 1 10 | atomic_numbers listlengths 1 200 | num_atoms int32 1 200 | num_elements int32 1 10 | fractional_coords listlengths 1 200 | lattice dict | spacegroup_number int32 0 230 | reduced_formula stringlengths 1 24 | tier stringclasses 3
values | is_li_containing bool 2
classes | num_li_atoms int32 0 104 ⌀ | band_gap float32 0 17.9 ⌀ | energy_above_hull float32 0 9.71 ⌀ | formation_energy_per_atom float32 -5.15 8.99 ⌀ | is_metal bool 2
classes | source_tags listlengths 1 5 ⌀ | source stringclasses 4
values |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
mp-1183597 | [
"Ca",
"Ho"
] | [
20,
20,
67,
67,
67,
67,
67,
67
] | 8 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
]
] | {
"a": 5.089320182800293,
"b": 5.089320182800293,
"c": 10.129741668701172,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | CaHo3 | hard_negative | false | null | 0 | 0.140401 | 0.140401 | true | [
"metallic"
] | null |
mp-1183620 | [
"Ca",
"Eu"
] | [
20,
20,
63,
63,
63,
63,
63,
63
] | 8 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
]
] | {
"a": 5.558569431304932,
"b": 5.558569431304932,
"c": 11.403435707092285,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | CaEu3 | hard_negative | false | null | 0 | 0.046251 | 0.046251 | true | [
"metallic"
] | null |
mp-1183635 | [
"Pd",
"Cd"
] | [
48,
48,
48,
48,
48,
48,
46,
46
] | 8 | 2 | [
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 4.142045974731445,
"b": 4.142045974731445,
"c": 8.70678424835205,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | Cd3Pd | hard_negative | false | null | 0 | 0.020566 | -0.190776 | true | [
"metallic"
] | null |
mp-1183641 | [
"Cd",
"Pt"
] | [
48,
48,
48,
48,
48,
48,
78,
78
] | 8 | 2 | [
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 4.152004718780518,
"b": 4.152004718780518,
"c": 8.63135814666748,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | Cd3Pt | hard_negative | false | null | 0 | 0 | -0.157466 | true | [
"metallic"
] | null |
mp-1183643 | [
"Cd",
"Au"
] | [
48,
48,
79,
79,
79,
79,
79,
79
] | 8 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
]
] | {
"a": 4.199468612670898,
"b": 4.199468612670898,
"c": 8.216111183166504,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | CdAu3 | hard_negative | false | null | 0 | 0.003912 | -0.150001 | true | [
"metallic"
] | null |
mp-1183644 | [
"Ge",
"Cd"
] | [
48,
48,
48,
48,
48,
48,
32,
32
] | 8 | 2 | [
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 4.420693874359131,
"b": 4.420693874359131,
"c": 9.171751976013184,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | Cd3Ge | hard_negative | false | null | 0 | 0.127114 | 0.127114 | true | [
"metallic"
] | null |
mp-1183645 | [
"Cd",
"Ir"
] | [
48,
48,
48,
48,
48,
48,
77,
77
] | 8 | 2 | [
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 4.120811939239502,
"b": 4.120811939239502,
"c": 8.817861557006836,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | Cd3Ir | hard_negative | false | null | 0 | 0.144225 | 0.055455 | true | [
"metallic"
] | null |
mp-1183646 | [
"Ga",
"Cd"
] | [
48,
48,
48,
48,
48,
48,
31,
31
] | 8 | 2 | [
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 4.381725311279297,
"b": 4.381725311279297,
"c": 8.76039981842041,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | Cd3Ga | hard_negative | false | null | 0 | 0.08189 | 0.08189 | true | [
"metallic"
] | null |
mp-1183647 | [
"Ag",
"Cd"
] | [
48,
48,
47,
47,
47,
47,
47,
47
] | 8 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
]
] | {
"a": 4.15366792678833,
"b": 4.15366792678833,
"c": 8.348137855529785,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | CdAg3 | hard_negative | false | null | 0 | 0 | -0.046257 | true | [
"metallic"
] | null |
mp-1183649 | [
"Ge",
"Cd"
] | [
48,
48,
32,
32,
32,
32,
32,
32
] | 8 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
]
] | {
"a": 4.229328155517578,
"b": 4.229328155517578,
"c": 9.313455581665039,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | CdGe3 | hard_negative | false | null | 0 | 0.288 | 0.288 | true | [
"metallic"
] | null |
mp-1183650 | [
"Cd",
"Hg"
] | [
48,
48,
80,
80,
80,
80,
80,
80
] | 8 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
]
] | {
"a": 4.318600177764893,
"b": 4.318600177764893,
"c": 10.736398696899414,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | CdHg3 | hard_negative | false | null | 0 | 0.037579 | 0.037579 | true | [
"metallic"
] | null |
mp-1183651 | [
"Cd",
"Te"
] | [
48,
48,
48,
48,
48,
48,
52,
52
] | 8 | 2 | [
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 4.525268077850342,
"b": 4.525268077850342,
"c": 10.228256225585938,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | Cd3Te | hard_negative | false | null | 0 | 0.309387 | 0.029017 | true | [
"metallic"
] | null |
mp-1183657 | [
"Cd",
"Bi"
] | [
48,
48,
83,
83,
83,
83,
83,
83
] | 8 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
]
] | {
"a": 5.073622226715088,
"b": 5.073622226715088,
"c": 9.450655937194824,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | CdBi3 | hard_negative | false | null | 0 | 0.107835 | 0.107835 | true | [
"metallic"
] | null |
mp-1183658 | [
"Cd",
"Bi"
] | [
48,
48,
48,
48,
48,
48,
83,
83
] | 8 | 2 | [
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 4.62557315826416,
"b": 4.62557315826416,
"c": 9.35885238647461,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | Cd3Bi | hard_negative | false | null | 0 | 0.10372 | 0.10372 | true | [
"metallic"
] | null |
mp-1183660 | [
"Cd",
"Pb"
] | [
48,
48,
82,
82,
82,
82,
82,
82
] | 8 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
]
] | {
"a": 4.797773838043213,
"b": 4.797773838043213,
"c": 10.180089950561523,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | CdPb3 | hard_negative | false | null | 0 | 0.056478 | 0.056478 | true | [
"metallic"
] | null |
mp-1183665 | [
"Se",
"Cd"
] | [
48,
48,
48,
48,
48,
48,
34,
34
] | 8 | 2 | [
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 4.081905841827393,
"b": 4.081905841827393,
"c": 12.17416000366211,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | Cd3Se | hard_negative | false | null | 0 | 0.27721 | -0.141593 | true | [
"metallic"
] | null |
mp-1183699 | [
"Co",
"Te"
] | [
27,
27,
27,
27,
27,
27,
52,
52
] | 8 | 2 | [
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.75232195854187,
"b": 3.75232195854187,
"c": 7.32410192489624,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | Co3Te | hard_negative | false | null | 0 | 0.29497 | 0.22564 | true | [
"metallic"
] | null |
mp-1183700 | [
"Cr",
"As"
] | [
24,
24,
24,
24,
24,
24,
33,
33
] | 8 | 2 | [
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.4714419841766357,
"b": 3.4714419841766357,
"c": 8.181300163269043,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | Cr3As | hard_negative | false | null | 0 | 0.210482 | 0.117676 | true | [
"metallic"
] | null |
mp-1183713 | [
"H",
"Ce"
] | [
58,
58,
1,
1,
1,
1,
1,
1
] | 8 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
]
] | {
"a": 3.6296939849853516,
"b": 3.6296939849853516,
"c": 6.048947811126709,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | CeH3 | hard_negative | false | null | 0 | 0.003062 | -0.621531 | true | [
"metallic"
] | null |
mp-1183714 | [
"Co",
"I"
] | [
27,
27,
27,
27,
27,
27,
53,
53
] | 8 | 2 | [
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.8055620193481445,
"b": 3.8055620193481445,
"c": 7.481688022613525,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | Co3I | hard_negative | false | null | 0 | 0.752055 | 0.661423 | true | [
"halide",
"metallic"
] | null |
mp-1183718 | [
"Co",
"Os"
] | [
27,
27,
27,
27,
27,
27,
76,
76
] | 8 | 2 | [
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 3.575916051864624,
"b": 3.575916051864624,
"c": 7.129737854003906,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | Co3Os | hard_negative | false | null | 0 | 0.12293 | 0.12293 | true | [
"metallic"
] | null |
mp-1183720 | [
"Cd",
"Sn"
] | [
48,
48,
50,
50,
50,
50,
50,
50
] | 8 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
]
] | {
"a": 4.4988203048706055,
"b": 4.4988203048706055,
"c": 10.41784954071045,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | CdSn3 | hard_negative | false | null | 0 | 0.203495 | 0.203495 | true | [
"metallic"
] | null |
mp-1183721 | [
"Cr",
"Ag"
] | [
24,
24,
47,
47,
47,
47,
47,
47
] | 8 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
]
] | {
"a": 4.129395961761475,
"b": 4.129395961761475,
"c": 8.298412322998047,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | CrAg3 | hard_negative | false | null | 0 | 0.268015 | 0.268015 | true | [
"metallic"
] | null |
mp-1183723 | [
"H",
"Cr"
] | [
24,
24,
24,
24,
24,
24,
1,
1
] | 8 | 2 | [
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
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[
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[
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] | {
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"c": 7.980495929718018,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | Cr3H | hard_negative | false | null | 0 | 0.757946 | 0.757946 | true | [
"metallic"
] | null |
mp-1183746 | [
"Ce",
"Hg"
] | [
58,
58,
58,
58,
58,
58,
80,
80
] | 8 | 2 | [
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[
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[
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"alpha": 90,
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} | 139 | Ce3Hg | hard_negative | false | null | 0 | 0.049507 | -0.184466 | true | [
"metallic"
] | null |
mp-1183748 | [
"Cd",
"Ce"
] | [
58,
58,
58,
58,
58,
58,
48,
48
] | 8 | 2 | [
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"alpha": 90,
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} | 139 | Ce3Cd | hard_negative | false | null | 0 | 0.07073 | -0.053613 | true | [
"metallic"
] | null |
mp-1183752 | [
"Co",
"Cu"
] | [
27,
27,
27,
27,
27,
27,
29,
29
] | 8 | 2 | [
[
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"a": 3.54219388961792,
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"alpha": 90,
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} | 139 | Co3Cu | hard_negative | false | null | 0 | 0.118587 | 0.118587 | true | [
"metallic"
] | null |
mp-1183782 | [
"Ce",
"Sm"
] | [
58,
58,
58,
58,
58,
58,
62,
62
] | 8 | 2 | [
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"alpha": 90,
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} | 139 | Ce3Sm | hard_negative | false | null | 0 | 0.097013 | 0.097013 | true | [
"metallic"
] | null |
mp-1183787 | [
"Ce",
"Er"
] | [
58,
58,
68,
68,
68,
68,
68,
68
] | 8 | 2 | [
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"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | CeEr3 | hard_negative | false | null | 0 | 0.082262 | 0.082262 | true | [
"metallic"
] | null |
mp-1183813 | [
"Ce",
"Tm"
] | [
58,
58,
69,
69,
69,
69,
69,
69
] | 8 | 2 | [
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"alpha": 90,
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} | 139 | CeTm3 | hard_negative | false | null | 0 | 0.083289 | 0.083289 | true | [
"metallic"
] | null |
mp-1183815 | [
"Ag",
"Dy"
] | [
66,
66,
47,
47,
47,
47,
47,
47
] | 8 | 2 | [
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"alpha": 90,
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} | 139 | DyAg3 | hard_negative | false | null | 0 | 0.037967 | -0.219989 | true | [
"metallic"
] | null |
mp-1183824 | [
"Ce",
"Th"
] | [
58,
58,
58,
58,
58,
58,
90,
90
] | 8 | 2 | [
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"a": 4.811032295227051,
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"alpha": 90,
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} | 139 | Ce3Th | hard_negative | false | null | 0 | 0.025644 | 0.025644 | true | [
"metallic"
] | null |
mp-1183825 | [
"Zr",
"Dy"
] | [
66,
66,
66,
66,
66,
66,
40,
40
] | 8 | 2 | [
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"a": 4.877734184265137,
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"alpha": 90,
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} | 139 | Dy3Zr | hard_negative | false | null | 0 | 0.095259 | 0.095259 | true | [
"metallic"
] | null |
mp-1183827 | [
"Ce",
"Hf"
] | [
58,
58,
58,
58,
58,
58,
72,
72
] | 8 | 2 | [
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"a": 4.689591884613037,
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"alpha": 90,
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} | 139 | Ce3Hf | hard_negative | false | null | 0 | 0.101862 | 0.101862 | true | [
"metallic"
] | null |
mp-1183838 | [
"Ce",
"Ho"
] | [
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58,
58,
58,
58,
58,
67,
67
] | 8 | 2 | [
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"alpha": 90,
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} | 139 | Ce3Ho | hard_negative | false | null | 0 | 0.094298 | 0.094298 | true | [
"metallic"
] | null |
mp-1183841 | [
"Dy",
"Ho"
] | [
66,
66,
67,
67,
67,
67,
67,
67
] | 8 | 2 | [
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"a": 4.99385929107666,
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"alpha": 90,
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} | 139 | DyHo3 | hard_negative | false | null | 0 | 0.051924 | 0.044573 | true | [
"metallic"
] | null |
mp-1183850 | [
"Ce",
"Bi"
] | [
58,
58,
83,
83,
83,
83,
83,
83
] | 8 | 2 | [
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"alpha": 90,
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} | 139 | CeBi3 | hard_negative | false | null | 0 | 0.0844 | -0.498606 | true | [
"metallic"
] | null |
mp-1183854 | [
"Ce",
"Pm"
] | [
58,
58,
61,
61,
61,
61,
61,
61
] | 8 | 2 | [
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] | {
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"alpha": 90,
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} | 139 | CePm3 | hard_negative | false | null | 0 | 0.083576 | 0.083576 | true | [
"metallic"
] | null |
mp-1183858 | [
"S",
"Ce"
] | [
58,
58,
16,
16,
16,
16,
16,
16
] | 8 | 2 | [
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] | {
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"alpha": 90,
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} | 139 | CeS3 | hard_negative | false | null | 0 | 0.216222 | -1.320859 | true | [
"sulfide",
"metallic"
] | null |
mp-1183868 | [
"Cr",
"Ce"
] | [
58,
58,
58,
58,
58,
58,
24,
24
] | 8 | 2 | [
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] | {
"a": 4.183643817901611,
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"alpha": 90,
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} | 139 | Ce3Cr | hard_negative | false | null | 0 | 0.324236 | 0.324236 | true | [
"metallic"
] | null |
mp-1183869 | [
"Dy",
"Np"
] | [
66,
66,
93,
93,
93,
93,
93,
93
] | 8 | 2 | [
[
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] | {
"a": 4.534825801849365,
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"alpha": 90,
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} | 139 | DyNp3 | hard_negative | false | null | 0 | 0.693414 | 0.693414 | true | [
"metallic"
] | null |
mp-1183872 | [
"Cu",
"Ce"
] | [
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58,
58,
58,
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58,
29,
29
] | 8 | 2 | [
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] | {
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"alpha": 90,
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} | 139 | Ce3Cu | hard_negative | false | null | 0 | 0.166214 | 0.124653 | true | [
"metallic"
] | null |
mp-1183875 | [
"Ce",
"Pr"
] | [
58,
58,
59,
59,
59,
59,
59,
59
] | 8 | 2 | [
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[
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] | {
"a": 5.308403968811035,
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"alpha": 90,
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} | 139 | CePr3 | hard_negative | false | null | 0 | 0.100168 | 0.100168 | true | [
"metallic"
] | null |
mp-1183910 | [
"Dy",
"Pu"
] | [
66,
66,
94,
94,
94,
94,
94,
94
] | 8 | 2 | [
[
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] | {
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"alpha": 90,
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"gamma": 90
} | 139 | DyPu3 | hard_negative | false | null | 0 | 0.189429 | 0.189429 | true | [
"metallic"
] | null |
mp-1183912 | [
"Ce",
"Eu"
] | [
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58,
58,
58,
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63,
63
] | 8 | 2 | [
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"alpha": 90,
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} | 139 | Ce3Eu | hard_negative | false | null | 0 | 0.207938 | 0.207938 | true | [
"metallic"
] | null |
mp-1183941 | [
"Mg",
"Ce"
] | [
58,
58,
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12,
12
] | 6 | 2 | [
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"alpha": 90,
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} | 139 | Ce2Mg | hard_negative | false | null | 0 | 0.142098 | 0.117836 | true | [
"metallic"
] | null |
mp-1183944 | [
"Cs",
"Nd"
] | [
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55,
60,
60,
60,
60,
60,
60
] | 8 | 2 | [
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"alpha": 90,
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} | 139 | CsNd3 | hard_negative | false | null | 0 | 0.560116 | 0.560116 | true | [
"metallic"
] | null |
mp-1183946 | [
"Cs",
"Pr"
] | [
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55,
59,
59,
59,
59,
59,
59
] | 8 | 2 | [
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[
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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": 5.460686206817627,
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"c": 10.87685775756836,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | CsPr3 | hard_negative | false | null | 0 | 0.537904 | 0.537904 | true | [
"metallic"
] | null |
mp-1183949 | [
"Cs",
"La"
] | [
55,
55,
57,
57,
57,
57,
57,
57
] | 8 | 2 | [
[
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0,
0
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[
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"c": 11.006908416748047,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | CsLa3 | hard_negative | false | null | 0 | 0.520408 | 0.520408 | true | [
"metallic"
] | null |
mp-1183954 | [
"Cs",
"Ba"
] | [
55,
55,
56,
56,
56,
56,
56,
56
] | 8 | 2 | [
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0
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"alpha": 90,
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} | 139 | CsBa3 | hard_negative | false | null | 0 | 0.159149 | 0.159149 | true | [
"metallic"
] | null |
mp-1183958 | [
"K",
"Cs"
] | [
55,
55,
19,
19,
19,
19,
19,
19
] | 8 | 2 | [
[
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0
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"alpha": 90,
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"gamma": 90
} | 139 | CsK3 | hard_negative | false | null | 0 | 0.018994 | 0.018994 | true | [
"metallic"
] | null |
mp-1183993 | [
"H",
"Ga"
] | [
31,
31,
1,
1,
1,
1,
1,
1
] | 8 | 2 | [
[
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0
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"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | GaH3 | hard_negative | false | null | 0 | 0.601484 | 0.601484 | true | [
"metallic"
] | null |
mp-1183998 | [
"Ga",
"Tc"
] | [
31,
31,
31,
31,
31,
31,
43,
43
] | 8 | 2 | [
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[
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"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | Ga3Tc | hard_negative | false | null | 0 | 0 | -0.060789 | true | [
"metallic"
] | null |
mp-1184001 | [
"Cu",
"Ga"
] | [
31,
31,
29,
29,
29,
29,
29,
29
] | 8 | 2 | [
[
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0
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[
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] | {
"a": 3.6333770751953125,
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"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | GaCu3 | hard_negative | false | null | 0 | 0.006046 | -0.09812 | true | [
"metallic"
] | null |
mp-1184006 | [
"Co",
"Ga"
] | [
31,
31,
27,
27,
27,
27,
27,
27
] | 8 | 2 | [
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0
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] | {
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"alpha": 90,
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"gamma": 90
} | 139 | GaCo3 | hard_negative | false | null | 0 | 0.061544 | -0.036259 | true | [
"metallic"
] | null |
mp-1184010 | [
"Ga",
"Te"
] | [
31,
31,
31,
31,
31,
31,
52,
52
] | 8 | 2 | [
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"a": 4.365116119384766,
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"alpha": 90,
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"gamma": 90
} | 139 | Ga3Te | hard_negative | false | null | 0 | 0.191444 | -0.030053 | true | [
"metallic"
] | null |
mp-1184011 | [
"Cu",
"Ag"
] | [
29,
29,
29,
29,
29,
29,
47,
47
] | 8 | 2 | [
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[
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"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | Cu3Ag | hard_negative | false | null | 0 | 0.090375 | 0.090375 | true | [
"metallic"
] | null |
mp-1184013 | [
"Ga",
"Hg"
] | [
31,
31,
80,
80,
80,
80,
80,
80
] | 8 | 2 | [
[
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0
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] | {
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"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | GaHg3 | hard_negative | false | null | 0 | 0.066585 | 0.066585 | true | [
"metallic"
] | null |
mp-1184014 | [
"Ga",
"Pb"
] | [
31,
31,
82,
82,
82,
82,
82,
82
] | 8 | 2 | [
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] | {
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"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | GaPb3 | hard_negative | false | null | 0 | 0.103293 | 0.103293 | true | [
"metallic"
] | null |
mp-1184016 | [
"Rb",
"Cs"
] | [
55,
55,
37,
37,
37,
37,
37,
37
] | 8 | 2 | [
[
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0
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[
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] | {
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"c": 14.835379600524902,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | CsRb3 | hard_negative | false | null | 0 | 0.045421 | 0.045421 | true | [
"metallic"
] | null |
mp-1184018 | [
"Cu",
"Au"
] | [
29,
29,
79,
79,
79,
79,
79,
79
] | 8 | 2 | [
[
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0,
0
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[
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[
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] | {
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"c": 8.164198875427246,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | CuAu3 | hard_negative | false | null | 0 | 0.011761 | -0.012308 | true | [
"metallic"
] | null |
mp-1184019 | [
"Cs",
"Yb"
] | [
55,
55,
70,
70,
70,
70,
70,
70
] | 8 | 2 | [
[
0,
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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": 10.116528511047363,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | CsYb3 | hard_negative | false | null | 0 | 0.761831 | 0.761831 | true | [
"metallic"
] | null |
mp-1184028 | [
"Cu",
"Rh"
] | [
29,
29,
29,
29,
29,
29,
45,
45
] | 8 | 2 | [
[
0,
0.5,
0.25
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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": 3.674774408340454,
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"c": 7.201255798339844,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | Cu3Rh | hard_negative | false | null | 0 | 0.038867 | 0.038867 | true | [
"metallic"
] | null |
mp-1184031 | [
"Ga",
"Sn"
] | [
31,
31,
31,
31,
31,
31,
50,
50
] | 8 | 2 | [
[
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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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] | {
"a": 4.5563764572143555,
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"c": 7.933965682983398,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | Ga3Sn | hard_negative | false | null | 0 | 0.19348 | 0.19348 | true | [
"metallic"
] | null |
mp-1184034 | [
"Ni",
"Ga"
] | [
31,
31,
28,
28,
28,
28,
28,
28
] | 8 | 2 | [
[
0,
0,
0
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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": 6.657340049743652,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | GaNi3 | hard_negative | false | null | 0 | 0.033541 | -0.245426 | true | [
"metallic"
] | null |
mp-1184035 | [
"Sr",
"Cs"
] | [
55,
55,
38,
38,
38,
38,
38,
38
] | 8 | 2 | [
[
0,
0,
0
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[
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[
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[
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[
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] | {
"a": 6.3693718910217285,
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"c": 12.438353538513184,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | CsSr3 | hard_negative | false | null | 0 | 0.165557 | 0.165557 | true | [
"metallic"
] | null |
mp-1184054 | [
"Ni",
"Cu"
] | [
29,
29,
28,
28,
28,
28,
28,
28
] | 8 | 2 | [
[
0,
0,
0
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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": 3.5124237537384033,
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"c": 6.938357353210449,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | CuNi3 | hard_negative | false | null | 0 | 0.04302 | 0.04302 | true | [
"metallic"
] | null |
mp-1184119 | [
"Cu",
"Pd"
] | [
29,
29,
46,
46,
46,
46,
46,
46
] | 8 | 2 | [
[
0,
0,
0
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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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"c": 7.82435941696167,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | CuPd3 | hard_negative | false | null | 0 | 0.010751 | -0.050925 | true | [
"metallic"
] | null |
mp-1184121 | [
"Cu",
"Ru"
] | [
29,
29,
44,
44,
44,
44,
44,
44
] | 8 | 2 | [
[
0,
0,
0
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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": 3.718698024749756,
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"c": 7.8509521484375,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | CuRu3 | hard_negative | false | null | 0 | 0.274873 | 0.274873 | true | [
"metallic"
] | null |
mp-1184132 | [
"Cu",
"Sn"
] | [
29,
29,
50,
50,
50,
50,
50,
50
] | 8 | 2 | [
[
0,
0,
0
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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": 9.741408348083496,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | CuSn3 | hard_negative | false | null | 0 | 0.24576 | 0.24576 | true | [
"metallic"
] | null |
mp-1184133 | [
"As",
"Dy"
] | [
66,
66,
66,
66,
66,
66,
33,
33
] | 8 | 2 | [
[
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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": 10.28668212890625,
"alpha": 90,
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"gamma": 90
} | 139 | Dy3As | hard_negative | false | null | 0 | 0.361531 | -0.543759 | true | [
"metallic"
] | null |
mp-1184141 | [
"Dy",
"Lu"
] | [
66,
66,
66,
66,
66,
66,
71,
71
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"alpha": 90,
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} | 139 | Dy3Lu | hard_negative | false | null | 0 | 0.046312 | 0.046312 | true | [
"metallic"
] | null |
mp-1184142 | [
"Dy",
"U"
] | [
66,
66,
92,
92,
92,
92,
92,
92
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} | 139 | DyU3 | hard_negative | false | null | 0 | 0.536941 | 0.536941 | true | [
"metallic"
] | null |
mp-1184177 | [
"Sn",
"Er"
] | [
68,
68,
68,
68,
68,
68,
50,
50
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"alpha": 90,
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} | 139 | Er3Sn | hard_negative | false | null | 0 | 0.09202 | -0.380369 | true | [
"metallic"
] | null |
mp-1184178 | [
"Er",
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] | [
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68,
68,
68,
68,
68,
82,
82
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"alpha": 90,
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} | 139 | Er3Pb | hard_negative | false | null | 0 | 0.092066 | -0.249735 | true | [
"metallic"
] | null |
mp-1184179 | [
"P",
"Er"
] | [
68,
68,
68,
68,
68,
68,
15,
15
] | 8 | 2 | [
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"alpha": 90,
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} | 139 | Er3P | hard_negative | false | null | 0 | 0.480102 | -0.440993 | true | [
"metallic"
] | null |
mp-1184183 | [
"Cu",
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] | [
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29,
32,
32,
32,
32,
32,
32
] | 8 | 2 | [
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"alpha": 90,
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} | 139 | CuGe3 | hard_negative | false | null | 0 | 0.32485 | 0.32485 | true | [
"metallic"
] | null |
mp-1184185 | [
"Cu",
"Pb"
] | [
29,
29,
82,
82,
82,
82,
82,
82
] | 8 | 2 | [
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"c": 9.21111011505127,
"alpha": 90,
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} | 139 | CuPb3 | hard_negative | false | null | 0 | 0.260977 | 0.260977 | true | [
"metallic"
] | null |
mp-1184186 | [
"Ge",
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] | [
68,
68,
68,
68,
68,
68,
32,
32
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"alpha": 90,
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} | 139 | Er3Ge | hard_negative | false | null | 0 | 0.241462 | -0.293509 | true | [
"metallic"
] | null |
mp-1184198 | [
"Nb",
"Eu"
] | [
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63,
63,
63,
63,
63,
41,
41
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} | 139 | Eu3Nb | hard_negative | false | null | 0 | 0.550064 | 0.550064 | true | [
"metallic"
] | null |
mp-1184252 | [
"Si",
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] | [
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31,
14,
14,
14,
14,
14,
14
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"alpha": 90,
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} | 139 | GaSi3 | hard_negative | false | null | 0 | 0.514814 | 0.514814 | true | [
"metallic"
] | null |
mp-1184257 | [
"Ga",
"Ag"
] | [
31,
31,
31,
31,
31,
31,
47,
47
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} | 139 | Ga3Ag | hard_negative | false | null | 0 | 0.136595 | 0.128973 | true | [
"metallic"
] | null |
mp-1184258 | [
"Ga",
"Sb"
] | [
31,
31,
31,
31,
31,
31,
51,
51
] | 8 | 2 | [
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"alpha": 90,
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} | 139 | Ga3Sb | hard_negative | false | null | 0 | 0.146836 | 0.0322 | true | [
"metallic"
] | null |
mp-1184265 | [
"Ga",
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] | [
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31,
45,
45,
45,
45,
45,
45
] | 8 | 2 | [
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"alpha": 90,
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} | 139 | GaRh3 | hard_negative | false | null | 0 | 0.019764 | -0.320216 | true | [
"metallic"
] | null |
mp-1184266 | [
"Ga",
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] | [
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31,
50,
50,
50,
50,
50,
50
] | 8 | 2 | [
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"alpha": 90,
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} | 139 | GaSn3 | hard_negative | false | null | 0 | 0.229721 | 0.229721 | true | [
"metallic"
] | null |
mp-1184268 | [
"Ga",
"Hg"
] | [
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31,
31,
31,
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31,
80,
80
] | 8 | 2 | [
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} | 139 | Ga3Hg | hard_negative | false | null | 0 | 0.075004 | 0.075004 | true | [
"metallic"
] | null |
mp-1184272 | [
"Fe",
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] | [
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26,
26,
26,
26,
26,
79,
79
] | 8 | 2 | [
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"alpha": 90,
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} | 139 | Fe3Au | hard_negative | false | null | 0 | 0.141915 | 0.141915 | true | [
"metallic"
] | null |
mp-1184287 | [
"H",
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] | [
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26,
26,
26,
26,
26,
1,
1
] | 8 | 2 | [
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"alpha": 90,
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} | 139 | Fe3H | hard_negative | false | null | 0 | 0.602785 | 0.569158 | true | [
"metallic"
] | null |
mp-1184292 | [
"P",
"Ga"
] | [
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31,
31,
31,
31,
31,
15,
15
] | 8 | 2 | [
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"alpha": 90,
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} | 139 | Ga3P | hard_negative | false | null | 0 | 0.347923 | 0.093465 | true | [
"metallic"
] | null |
mp-1184296 | [
"Ga",
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] | [
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31,
31,
31,
31,
31,
79,
79
] | 8 | 2 | [
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"alpha": 90,
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"gamma": 90
} | 139 | Ga3Au | hard_negative | false | null | 0 | 0.13837 | -0.036476 | true | [
"metallic"
] | null |
mp-1184311 | [
"Fe",
"Cu"
] | [
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26,
26,
26,
26,
26,
29,
29
] | 8 | 2 | [
[
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[
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"alpha": 90,
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} | 139 | Fe3Cu | hard_negative | false | null | 0 | 0.132275 | 0.132275 | true | [
"metallic"
] | null |
mp-1184315 | [
"S",
"Eu"
] | [
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63,
16,
16,
16,
16,
16,
16
] | 8 | 2 | [
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"alpha": 90,
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} | 139 | EuS3 | hard_negative | false | null | 0 | 0.297106 | -0.95179 | true | [
"sulfide",
"metallic"
] | null |
mp-1184326 | [
"Eu",
"Hf"
] | [
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63,
63,
63,
63,
63,
72,
72
] | 8 | 2 | [
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[
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"alpha": 90,
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} | 139 | Eu3Hf | hard_negative | false | null | 0 | 0.376325 | 0.376325 | true | [
"metallic"
] | null |
mp-1184327 | [
"V",
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] | [
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63,
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23,
23
] | 8 | 2 | [
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"alpha": 90,
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} | 139 | Eu3V | hard_negative | false | null | 0 | 0.492048 | 0.492048 | true | [
"metallic"
] | null |
mp-1184336 | [
"Fe",
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] | [
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26,
77,
77,
77,
77,
77,
77
] | 8 | 2 | [
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"beta": 90,
"gamma": 90
} | 139 | FeIr3 | hard_negative | false | null | 0 | 0 | -0.073084 | true | [
"metallic"
] | null |
mp-1184338 | [
"Ti",
"Eu"
] | [
63,
63,
63,
63,
63,
63,
22,
22
] | 8 | 2 | [
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 5.153897762298584,
"b": 5.153897762298584,
"c": 10.369206428527832,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | Eu3Ti | hard_negative | false | null | 0 | 0.377471 | 0.377471 | true | [
"metallic"
] | null |
mp-1184357 | [
"Ag",
"Eu"
] | [
63,
63,
47,
47,
47,
47,
47,
47
] | 8 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
]
] | {
"a": 5.012834072113037,
"b": 5.012834072113037,
"c": 7.451933860778809,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | EuAg3 | hard_negative | false | null | 0 | 0.090999 | -0.149976 | true | [
"metallic"
] | null |
mp-1184375 | [
"Eu",
"Au"
] | [
63,
63,
79,
79,
79,
79,
79,
79
] | 8 | 2 | [
[
0,
0,
0
],
[
0.5,
0.5,
0.5
],
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
]
] | {
"a": 4.79603385925293,
"b": 4.79603385925293,
"c": 7.684939861297607,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | EuAu3 | hard_negative | false | null | 0 | 0.05855 | -0.528311 | true | [
"metallic"
] | null |
mp-1184395 | [
"Zr",
"Eu"
] | [
63,
63,
63,
63,
63,
63,
40,
40
] | 8 | 2 | [
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0.5,
0.5,
0
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0,
0,
0.5
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 5.195342063903809,
"b": 5.195342063903809,
"c": 10.185277938842773,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | Eu3Zr | hard_negative | false | null | 0 | 0.317204 | 0.317204 | true | [
"metallic"
] | null |
mp-1184397 | [
"Tc",
"Eu"
] | [
63,
63,
63,
63,
63,
63,
43,
43
] | 8 | 2 | [
[
0,
0.5,
0.25
],
[
0.5,
0,
0.25
],
[
0,
0,
0.5
],
[
0.5,
0,
0.75
],
[
0,
0.5,
0.75
],
[
0.5,
0.5,
0
],
[
0,
0,
0
],
[
0.5,
0.5,
0.5
]
] | {
"a": 4.938240051269531,
"b": 4.938240051269531,
"c": 9.383576393127441,
"alpha": 90,
"beta": 90,
"gamma": 90
} | 139 | Eu3Tc | hard_negative | false | null | 0 | 0.437782 | 0.437782 | true | [
"metallic"
] | null |
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