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"structure_string": "Se32\n1.0\n8.485871 0.000000 0.000000\n0.000000 10.236324 0.000000\n0.000000 1.233740 13.584402\nSe\n32\ndirect\n0.679579 0.423879 0.414650 Se\n0.179579 0.576121 0.085350 Se\n0.320421 0.576121 0.585350 Se\n0.820421 0.423879 0.914650 Se\n0.765988 0.246549 0.524163 Se\n0.265988 0.753451 0.975837 Se\n0.234012 0.753451 0.475837 Se\n0.734012 0.246549 0.024163 Se\n0.597692 0.232610 0.663459 Se\n0.097692 0.767390 0.836541 Se\n0.402308 0.767390 0.336541 Se\n0.902308 0.232610 0.163459 Se\n0.414730 0.062786 0.644914 Se\n0.914730 0.937214 0.855086 Se\n0.585270 0.937214 0.355086 Se\n0.085270 0.062786 0.144914 Se\n0.176500 0.161333 0.586701 Se\n0.676500 0.838667 0.913299 Se\n0.823500 0.838667 0.413299 Se\n0.323500 0.161333 0.086701 Se\n0.166787 0.153000 0.413532 Se\n0.666787 0.847000 0.086468 Se\n0.833213 0.847000 0.586468 Se\n0.333213 0.153000 0.913532 Se\n0.252735 0.358504 0.340060 Se\n0.752735 0.641496 0.159940 Se\n0.747265 0.641496 0.659940 Se\n0.247265 0.358504 0.840060 Se\n0.520220 0.336863 0.294357 Se\n0.020220 0.663137 0.205643 Se\n0.479780 0.663137 0.705643 Se\n0.979780 0.336863 0.794357 Se\n",
"nsites": 32,
"nelements": 1,
"elements": [
"Se"
],
"chemical_system": "Se",
"density": 3.555701060101928,
"density_atomic": 0.027118708576259986,
"volume": 1179.9971930821644,
"volume_molar": 22.206591228580287,
"formula_full": "Se32",
"formula_reduced": "Se",
"formula_anonymous": "A",
"energy": -111.68586991,
"energy_per_atom": -3.4901834346875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -111.68586991,
"band_gap": 1.3902,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0006281,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:16.232000Z",
"spacegroup": 14
}
]
}