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"structure_string": "S24\n1.0\n5.663469 0.000000 0.000000\n0.000000 9.632489 0.000000\n0.000000 0.000000 15.710459\nS\n24\ndirect\n0.009455 0.303651 0.892776 S\n0.500000 0.500000 0.286127 S\n0.190262 0.736624 0.000000 S\n0.990545 0.696349 0.107224 S\n0.799591 0.872707 0.863435 S\n0.490545 0.803651 0.607224 S\n0.299591 0.627293 0.636565 S\n0.500000 0.500000 0.713873 S\n0.509455 0.196349 0.392776 S\n0.490545 0.803651 0.392776 S\n0.299591 0.627293 0.363435 S\n0.700409 0.372707 0.363435 S\n0.309738 0.236624 0.500000 S\n0.000000 0.000000 0.213873 S\n0.000000 0.000000 0.786127 S\n0.200409 0.127293 0.136565 S\n0.509455 0.196349 0.607224 S\n0.990545 0.696349 0.892776 S\n0.200409 0.127293 0.863435 S\n0.700409 0.372707 0.636565 S\n0.690262 0.763376 0.500000 S\n0.799591 0.872707 0.136565 S\n0.009455 0.303651 0.107224 S\n0.809738 0.263376 0.000000 S\n",
"nsites": 24,
"nelements": 1,
"elements": [
"S"
],
"chemical_system": "S",
"density": 1.4910137907510814,
"density_atomic": 0.028002790974917143,
"volume": 857.0574276506027,
"volume_molar": 21.50550195298102,
"formula_full": "S24",
"formula_reduced": "S",
"formula_anonymous": "A",
"energy": -98.93632967,
"energy_per_atom": -4.122347069583333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -98.93632967,
"band_gap": 2.4779,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002936,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:55.362000Z",
"spacegroup": 58
}
]
}