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{
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{
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"created_at": "2022-09-04T14:46:07.685677Z",
"structure_string": "Sn4 S4\n1.0\n4.023972 0.000000 0.000000\n0.000000 4.442511 0.000000\n0.000000 0.000000 11.432652\nSn S\n4 4\ndirect\n0.250000 0.373976 0.621238 Sn\n0.750000 0.626024 0.378762 Sn\n0.750000 0.873976 0.878762 Sn\n0.250000 0.126024 0.121238 Sn\n0.250000 0.019867 0.349830 S\n0.750000 0.980133 0.650170 S\n0.750000 0.519867 0.150170 S\n0.250000 0.480133 0.849830 S\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sn",
"S"
],
"chemical_system": "S-Sn",
"density": 4.9001342636386935,
"density_atomic": 0.03914348968824931,
"volume": 204.37625934004453,
"volume_molar": 15.38478252185016,
"formula_full": "Sn4 S4",
"formula_reduced": "SnS",
"formula_anonymous": "AB",
"energy": -38.0975131,
"energy_per_atom": -4.7621891375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.0855131,
"band_gap": 0.9047999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0056096,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:26.603000Z",
"spacegroup": 62
}
]
}