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"id": "mp-1079156",
"created_at": "2022-09-04T14:41:56.760941Z",
"structure_string": "Ag2 Cl2 O4\n1.0\n3.331872 -3.522811 0.000000\n3.331872 3.522811 0.000000\n0.000000 0.000000 8.084414\nAg Cl O\n2 2 4\ndirect\n0.750000 0.250000 0.757454 Ag\n0.250000 0.750000 0.242546 Ag\n0.750000 0.250000 0.159411 Cl\n0.250000 0.750000 0.840589 Cl\n0.935951 0.435951 0.282231 O\n0.435951 0.935951 0.717769 O\n0.064049 0.564049 0.717769 O\n0.564049 0.064049 0.282231 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ag",
"Cl",
"O"
],
"chemical_system": "Ag-Cl-O",
"density": 3.0679929787402744,
"density_atomic": 0.04215351488717885,
"volume": 189.78251330669534,
"volume_molar": 14.286212611493653,
"formula_full": "Ag2 Cl2 O4",
"formula_reduced": "AgClO2",
"formula_anonymous": "ABC2",
"energy": -29.5782296,
"energy_per_atom": -3.6972787,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -26.8302296,
"band_gap": 0.9151,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009832,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:30.440000Z",
"spacegroup": 67
}
]
}