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"created_at": "2022-09-04T14:44:07.075118Z",
"structure_string": "Sn46\n1.0\n12.365210 0.000000 0.000000\n0.000000 12.365210 0.000000\n0.000000 0.000000 12.365210\nSn\n46\ndirect\n0.500000 0.382833 0.192363 Sn\n0.500000 0.617167 0.807637 Sn\n0.382833 0.192363 0.500000 Sn\n0.617167 0.192363 0.500000 Sn\n0.192363 0.500000 0.382833 Sn\n0.807637 0.500000 0.382833 Sn\n0.000000 0.692363 0.117167 Sn\n0.000000 0.307637 0.882833 Sn\n0.250000 0.000000 0.500000 Sn\n0.750000 0.000000 0.500000 Sn\n0.000000 0.500000 0.250000 Sn\n0.000000 0.500000 0.750000 Sn\n0.500000 0.750000 0.000000 Sn\n0.500000 0.250000 0.000000 Sn\n0.183539 0.183539 0.183539 Sn\n0.683539 0.316461 0.683539 Sn\n0.683539 0.683539 0.316461 Sn\n0.316461 0.683539 0.683539 Sn\n0.816461 0.816461 0.183539 Sn\n0.183539 0.816461 0.816461 Sn\n0.816461 0.183539 0.816461 Sn\n0.316461 0.316461 0.316461 Sn\n0.816461 0.816461 0.816461 Sn\n0.316461 0.683539 0.316461 Sn\n0.316461 0.316461 0.683539 Sn\n0.683539 0.316461 0.316461 Sn\n0.183539 0.183539 0.816461 Sn\n0.816461 0.183539 0.183539 Sn\n0.183539 0.816461 0.183539 Sn\n0.683539 0.683539 0.683539 Sn\n0.000000 0.307637 0.117167 Sn\n0.500000 0.382833 0.807637 Sn\n0.500000 0.617167 0.192363 Sn\n0.617167 0.807637 0.500000 Sn\n0.382833 0.807637 0.500000 Sn\n0.192363 0.500000 0.617167 Sn\n0.807637 0.500000 0.617167 Sn\n0.117167 0.000000 0.307637 Sn\n0.307637 0.117167 0.000000 Sn\n0.692363 0.882833 0.000000 Sn\n0.117167 0.000000 0.692363 Sn\n0.692363 0.117167 0.000000 Sn\n0.882833 0.000000 0.307637 Sn\n0.882833 0.000000 0.692363 Sn\n0.307637 0.882833 0.000000 Sn\n0.000000 0.692363 0.882833 Sn\n",
"nsites": 46,
"nelements": 1,
"elements": [
"Sn"
],
"chemical_system": "Sn",
"density": 4.796116732256333,
"density_atomic": 0.02433062932610579,
"volume": 1890.6210514926483,
"volume_molar": 24.75127412153899,
"formula_full": "Sn46",
"formula_reduced": "Sn",
"formula_anonymous": "A",
"energy": -183.07770237,
"energy_per_atom": -3.979950051521739,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -183.07770237,
"band_gap": 0.7135000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:27.723000Z",
"spacegroup": 223
}
]
}