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"updated_at": "2021-11-28T01:36:36.436000Z",
"spacegroup": 230
},
{
"id": "mp-14134",
"created_at": "2022-09-04T14:43:50.522690Z",
"structure_string": "Lu12 Ga20 O48\n1.0\n-6.133689 6.133689 6.133689\n6.133689 -6.133689 6.133689\n6.133689 6.133689 -6.133689\nLu Ga O\n12 20 48\ndirect\n0.375000 0.125000 0.250000 Lu\n0.750000 0.125000 0.375000 Lu\n0.250000 0.375000 0.125000 Lu\n0.125000 0.250000 0.375000 Lu\n0.375000 0.750000 0.125000 Lu\n0.125000 0.375000 0.750000 Lu\n0.625000 0.875000 0.750000 Lu\n0.250000 0.875000 0.625000 Lu\n0.750000 0.625000 0.875000 Lu\n0.875000 0.750000 0.625000 Lu\n0.625000 0.250000 0.875000 Lu\n0.875000 0.625000 0.250000 Lu\n0.000000 0.000000 0.000000 Ga\n0.500000 0.000000 0.000000 Ga\n0.000000 0.500000 0.000000 Ga\n0.000000 0.000000 0.500000 Ga\n0.500000 0.500000 0.000000 Ga\n0.000000 0.500000 0.500000 Ga\n0.500000 0.000000 0.500000 Ga\n0.500000 0.500000 0.500000 Ga\n0.625000 0.375000 0.250000 Ga\n0.750000 0.375000 0.625000 Ga\n0.250000 0.125000 0.875000 Ga\n0.875000 0.250000 0.125000 Ga\n0.125000 0.875000 0.250000 Ga\n0.875000 0.125000 0.750000 Ga\n0.250000 0.625000 0.375000 Ga\n0.375000 0.250000 0.625000 Ga\n0.750000 0.875000 0.125000 Ga\n0.125000 0.750000 0.875000 Ga\n0.375000 0.625000 0.750000 Ga\n0.625000 0.750000 0.375000 Ga\n0.416787 0.823178 0.790931 O\n0.874145 0.406391 0.083214 O\n0.093609 0.967754 0.676822 O\n0.532246 0.625855 0.709069 O\n0.676822 0.083213 0.709069 O\n0.625855 0.709069 0.532246 O\n0.625855 0.416786 0.093609 O\n0.709069 0.532246 0.625855 O\n0.823178 0.532246 0.406391 O\n0.967754 0.790931 0.874145 O\n0.790931 0.874145 0.967754 O\n0.709069 0.676822 0.083213 O\n0.416786 0.093609 0.625855 O\n0.406391 0.823178 0.532246 O\n0.083214 0.709069 0.676822 O\n0.093609 0.625855 0.416786 O\n0.532246 0.406391 0.823178 O\n0.083214 0.874145 0.406391 O\n0.967754 0.676822 0.093609 O\n0.176822 0.467754 0.593609 O\n0.676822 0.093609 0.967754 O\n0.790931 0.416786 0.823178 O\n0.406391 0.083213 0.874145 O\n0.874145 0.967754 0.790931 O\n0.583214 0.176822 0.209069 O\n0.125855 0.593609 0.916787 O\n0.906391 0.032246 0.323178 O\n0.467754 0.374145 0.290931 O\n0.323178 0.916786 0.290931 O\n0.374145 0.290931 0.467754 O\n0.374145 0.583213 0.906391 O\n0.290931 0.467754 0.374145 O\n0.125855 0.032246 0.209069 O\n0.593609 0.916786 0.125855 O\n0.209069 0.583214 0.176822 O\n0.176822 0.209069 0.583214 O\n0.323178 0.906391 0.032246 O\n0.032246 0.323178 0.906391 O\n0.916786 0.125855 0.593609 O\n0.467754 0.593609 0.176822 O\n0.906391 0.374145 0.583214 O\n0.916786 0.290931 0.323178 O\n0.593609 0.176822 0.467754 O\n0.583214 0.906391 0.374145 O\n0.290931 0.323178 0.916786 O\n0.209069 0.125855 0.032246 O\n0.032246 0.209069 0.125855 O\n0.823178 0.790931 0.416787 O\n",
"nsites": 80,
"nelements": 3,
"elements": [
"Lu",
"Ga",
"O"
],
"chemical_system": "Ga-Lu-O",
"density": 7.6672722166155465,
"density_atomic": 0.08666919043681773,
"volume": 923.0500434675272,
"volume_molar": 6.94842161285696,
"formula_full": "Lu12 Ga20 O48",
"formula_reduced": "Lu3Ga5O12",
"formula_anonymous": "A3B5C12",
"energy": -591.53709627,
"energy_per_atom": -7.394213703375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -558.56109627,
"band_gap": 4.0316,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0010626,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:18.516000Z",
"spacegroup": 230
}
]
}