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"structure_string": "Ge12\n1.0\n6.026650 0.000000 0.000000\n0.000000 6.026650 0.000000\n0.000000 0.000000 7.105868\nGe\n12\ndirect\n0.087648 0.087648 0.000000 Ge\n0.412352 0.587648 0.750000 Ge\n0.587648 0.412352 0.250000 Ge\n0.912352 0.912352 0.500000 Ge\n0.171399 0.370395 0.253228 Ge\n0.129605 0.671399 0.003228 Ge\n0.870395 0.328601 0.503228 Ge\n0.671399 0.129605 0.996772 Ge\n0.328601 0.870395 0.496772 Ge\n0.828601 0.629605 0.753228 Ge\n0.370395 0.171399 0.746772 Ge\n0.629605 0.828601 0.246772 Ge\n",
"nsites": 12,
"nelements": 1,
"elements": [
"Ge"
],
"chemical_system": "Ge",
"density": 5.608375747078466,
"density_atomic": 0.04649563352911399,
"volume": 258.0887513337356,
"volume_molar": 12.952056575869946,
"formula_full": "Ge12",
"formula_reduced": "Ge",
"formula_anonymous": "A",
"energy": -53.68365537999999,
"energy_per_atom": -4.473637948333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -53.68365537999999,
"band_gap": 0.3433000000000001,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0044362,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:37.185000Z",
"spacegroup": 96
}
]
}