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0.75,
0.75,
0.75
],
[
0.25,
0.25,
0.25
]
] | [
20,
65,
45,
45
] | [
[
4.200018809038726,
0,
2.4248819900000003
],
[
1.4000062696795754,
3.9598157079764404,
2.4248819900000003
],
[
0,
0,
4.84976398
]
] | {
"object": {
"material_id": "mp-1183546",
"formation_energy_per_atom": -0.6065255699999996,
"band_gap": 0,
"pretty_formula": "CaTbRh2",
"e_above_hull": 0,
"elements": "['Ca', 'Rh', 'Tb']",
"spacegroup.number": 225
}
} |
[
[
0.826183,
0.826183,
0.994456
],
[
0.173817,
0.173817,
0.005544
],
[
0.821168,
0.821168,
0.505075
],
[
0.794244,
0.794244,
0.143817
],
[
0.205756,
0.205756,
0.856183
],
[
0.178832,
0.178832,
0.494925
],
[
0.929282,
... | [
83,
83,
83,
83,
83,
83,
83,
83,
35,
35,
35,
35,
35,
35,
35,
35
] | [
[
7.238479580655042,
0,
2.3873183331513004
],
[
5.980143332397679,
4.078415423119568,
2.3873183331513004
],
[
0,
0,
21.4937526
]
] | {
"object": {
"material_id": "mp-568758",
"formation_energy_per_atom": -0.7429691475000002,
"band_gap": 0.7863999999999998,
"pretty_formula": "BiBr",
"e_above_hull": 0.0384862145833331,
"elements": "['Bi', 'Br']",
"spacegroup.number": 12
}
} |
[
[
0.75,
0.75,
0.75
],
[
0.25,
0.25,
0.25
],
[
0.5,
0.5,
0.5
],
[
0,
0,
0
]
] | [
20,
20,
80,
82
] | [
[
4.742689795301132,
0,
2.7381932300000003
],
[
1.5808965984337109,
4.471450820428893,
2.7381932300000003
],
[
0,
0,
5.47638646
]
] | {
"object": {
"material_id": "mp-866105",
"formation_energy_per_atom": -0.5975706712499997,
"band_gap": 0.0712999999999999,
"pretty_formula": "Ca2HgPb",
"e_above_hull": 0,
"elements": "['Ca', 'Hg', 'Pb']",
"spacegroup.number": 225
}
} |
[
[
0.25,
0.133512,
0.180018
],
[
0.75,
0.866488,
0.819982
],
[
0.75,
0.633512,
0.319982
],
[
0.25,
0.366488,
0.680018
],
[
0.25,
0.628189,
0.037207
],
[
0.75,
0.371811,
0.962793
],
[
0.75,
0.128189,
0.462793
... | [
69,
69,
69,
69,
28,
28,
28,
28
] | [
[
4.102914,
0,
2.512310248638432e-16
],
[
-3.2855791798496515e-16,
5.365758,
3.2855791798496515e-16
],
[
0,
0,
6.949648
]
] | {
"object": {
"material_id": "mp-11525",
"formation_energy_per_atom": -0.501239618333333,
"band_gap": 0,
"pretty_formula": "TmNi",
"e_above_hull": 0,
"elements": "['Ni', 'Tm']",
"spacegroup.number": 62
}
} |
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