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{
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"created_at": "2022-09-04T14:42:07.198629Z",
"structure_string": "Ga20\n1.0\n5.326874 -6.851617 0.000000\n5.326874 6.851617 0.000000\n0.000000 0.000000 5.275632\nGa\n20\ndirect\n0.328379 0.226486 0.750000 Ga\n0.606967 0.393033 0.497386 Ga\n0.671621 0.773514 0.250000 Ga\n0.911665 0.633188 0.250000 Ga\n0.331826 0.919343 0.750000 Ga\n0.668174 0.080657 0.250000 Ga\n0.080657 0.668174 0.750000 Ga\n0.000528 0.999472 0.750000 Ga\n0.088335 0.366812 0.750000 Ga\n0.366812 0.088335 0.250000 Ga\n0.606967 0.393033 0.002614 Ga\n0.214029 0.785971 0.250000 Ga\n0.226486 0.328379 0.250000 Ga\n0.785971 0.214029 0.750000 Ga\n0.393033 0.606967 0.997386 Ga\n0.919343 0.331826 0.250000 Ga\n0.999472 0.000528 0.250000 Ga\n0.773514 0.671621 0.750000 Ga\n0.393033 0.606967 0.502614 Ga\n0.633188 0.911665 0.750000 Ga\n",
"nsites": 20,
"nelements": 1,
"elements": [
"Ga"
],
"chemical_system": "Ga",
"density": 6.012916410864471,
"density_atomic": 0.051934984175743236,
"volume": 385.0968728963473,
"volume_molar": 11.59553787408816,
"formula_full": "Ga20",
"formula_reduced": "Ga",
"formula_anonymous": "A",
"energy": -60.32827181,
"energy_per_atom": -3.0164135905,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -60.32827181,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010182,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:31.253000Z",
"spacegroup": 63
}
]
}