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{
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"id": "mp-1106231",
"created_at": "2022-09-04T14:42:47.193550Z",
"structure_string": "Sm4 Zn12\n1.0\n4.485153 0.000000 0.000000\n0.000000 6.728285 0.000000\n0.000000 0.000000 10.255979\nSm Zn\n4 12\ndirect\n0.250000 0.279371 0.661623 Sm\n0.250000 0.779371 0.838377 Sm\n0.750000 0.720629 0.338377 Sm\n0.750000 0.220629 0.161623 Sm\n0.250000 0.536104 0.103954 Zn\n0.250000 0.036104 0.396046 Zn\n0.750000 0.463896 0.896046 Zn\n0.750000 0.963896 0.603954 Zn\n0.250000 0.916607 0.147851 Zn\n0.250000 0.416607 0.352149 Zn\n0.750000 0.083393 0.852149 Zn\n0.750000 0.583393 0.647851 Zn\n0.250000 0.216637 0.956900 Zn\n0.250000 0.716637 0.543100 Zn\n0.750000 0.783363 0.043100 Zn\n0.750000 0.283363 0.456900 Zn\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Sm",
"Zn"
],
"chemical_system": "Sm-Zn",
"density": 7.438109936353485,
"density_atomic": 0.05169650914841578,
"volume": 309.4986540399762,
"volume_molar": 11.649027872870498,
"formula_full": "Sm4 Zn12",
"formula_reduced": "SmZn3",
"formula_anonymous": "AB3",
"energy": -39.71216592,
"energy_per_atom": -2.48201037,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.71216592,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0470175,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:54.714000Z",
"spacegroup": 62
},
{
"id": "mp-1228634",
"created_at": "2022-09-04T14:42:48.125766Z",
"structure_string": "B4 Mo1 Ir1\n1.0\n1.479925 -2.563306 0.000000\n1.479925 2.563306 0.000000\n0.000000 0.000000 7.481666\nB Mo Ir\n4 1 1\ndirect\n0.333333 0.666667 0.204591 B\n0.000000 0.000000 0.296204 B\n0.000000 0.000000 0.703796 B\n0.333333 0.666667 0.795409 B\n0.000000 0.000000 0.000000 Mo\n0.333333 0.666667 0.500000 Ir\n",
"nsites": 6,
"nelements": 3,
"elements": [
"B",
"Mo",
"Ir"
],
"chemical_system": "B-Ir-Mo",
"density": 9.694701446429267,
"density_atomic": 0.10570189605356986,
"volume": 56.76340939957399,
"volume_molar": 5.697287357029027,
"formula_full": "B4 Mo1 Ir1",
"formula_reduced": "B4MoIr",
"formula_anonymous": "ABC4",
"energy": -47.88628171,
"energy_per_atom": -7.9810469516666664,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -47.88628171,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0108773,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:50.076000Z",
"spacegroup": 187
}
]
}