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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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{
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{
"id": "mp-1215120",
"created_at": "2022-09-04T14:45:18.266104Z",
"structure_string": "Co1 Sn3 F6\n1.0\n12.621503 0.000000 0.000000\n-6.247302 -11.397261 0.000000\n-2.816187 1.343452 -21.804956\nCo Sn F\n1 3 6\ndirect\n0.000000 0.000000 0.000000 Co\n0.000000 0.000000 0.500000 Sn\n0.500000 0.000000 0.000000 Sn\n0.000000 0.500000 0.000000 Sn\n0.005063 0.599414 0.073740 F\n0.994937 0.400586 0.926260 F\n0.929569 0.004900 0.410734 F\n0.070431 0.995100 0.589266 F\n0.606470 0.920349 0.995816 F\n0.393530 0.079651 0.004184 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Co",
"Sn",
"F"
],
"chemical_system": "Co-F-Sn",
"density": 0.28007993677071985,
"density_atomic": 0.0031881094063000463,
"volume": 3136.6552164862746,
"volume_molar": 188.8937922926862,
"formula_full": "Co1 Sn3 F6",
"formula_reduced": "CoSn3F6",
"formula_anonymous": "AB3C6",
"energy": -41.66677283999999,
"energy_per_atom": -4.1666772839999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.25677284,
"band_gap": 0.4607999999999999,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 3.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:56.793000Z",
"spacegroup": 2
},
{
"id": "mp-1183777",
"created_at": "2022-09-04T14:44:23.854816Z",
"structure_string": "Co4 Sn12\n1.0\n3.153411 -8.531031 0.000000\n3.153411 8.531031 0.000000\n0.000000 0.000000 6.323231\nCo Sn\n4 12\ndirect\n0.579507 0.420493 0.500000 Co\n0.079507 0.920493 0.000000 Co\n0.420493 0.579507 0.500000 Co\n0.920493 0.079507 0.000000 Co\n0.163997 0.163997 0.663619 Sn\n0.663997 0.663997 0.836381 Sn\n0.336003 0.336003 0.163619 Sn\n0.836003 0.836003 0.336381 Sn\n0.981868 0.651794 0.682171 Sn\n0.481868 0.151794 0.817829 Sn\n0.848206 0.518132 0.182171 Sn\n0.348206 0.018132 0.317829 Sn\n0.651794 0.981868 0.682171 Sn\n0.151794 0.481868 0.817829 Sn\n0.518132 0.848206 0.182171 Sn\n0.018132 0.348206 0.317829 Sn\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Co",
"Sn"
],
"chemical_system": "Co-Sn",
"density": 8.103491331026305,
"density_atomic": 0.04702933533747267,
"volume": 340.2131857740992,
"volume_molar": 12.805073082122846,
"formula_full": "Co4 Sn12",
"formula_reduced": "CoSn3",
"formula_anonymous": "AB3",
"energy": -77.38157775,
"energy_per_atom": -4.836348609375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -77.38157775,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007304,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:25.219000Z",
"spacegroup": 64
}
]
}