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"id": "mp-776165",
"created_at": "2022-09-04T14:39:12.179322Z",
"structure_string": "Ag4 Au4 O12\n1.0\n0.000000 5.151928 5.151928\n5.151928 0.000000 5.151928\n5.151928 5.151928 0.000000\nAg Au O\n4 4 12\ndirect\n0.125000 0.125000 0.125000 Ag\n0.625000 0.125000 0.125000 Ag\n0.125000 0.625000 0.125000 Ag\n0.125000 0.125000 0.625000 Ag\n0.625000 0.625000 0.125000 Au\n0.625000 0.625000 0.625000 Au\n0.625000 0.125000 0.625000 Au\n0.125000 0.625000 0.625000 Au\n0.966287 0.533713 0.533713 O\n0.716287 0.716287 0.283713 O\n0.716287 0.283713 0.283713 O\n0.966287 0.533713 0.966287 O\n0.533713 0.966287 0.533713 O\n0.966287 0.966287 0.533713 O\n0.716287 0.283713 0.716287 O\n0.283713 0.716287 0.283713 O\n0.283713 0.283713 0.716287 O\n0.533713 0.966287 0.966287 O\n0.533713 0.533713 0.966287 O\n0.283713 0.716287 0.716287 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ag",
"Au",
"O"
],
"chemical_system": "Ag-Au-O",
"density": 8.569172736555055,
"density_atomic": 0.07312917012883005,
"volume": 273.488677155319,
"volume_molar": 8.234936550477638,
"formula_full": "Ag4 Au4 O12",
"formula_reduced": "AgAuO3",
"formula_anonymous": "ABC3",
"energy": -90.97968762,
"energy_per_atom": -4.548984381,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -82.73568762,
"band_gap": 0.2423000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 3.77e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:37.230000Z",
"spacegroup": 227
}
]
}