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{
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{
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{
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{
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{
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"energy": -12.15353907,
"energy_per_atom": -3.0383847675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.92553907,
"band_gap": 0.4437999999999997,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2e-07,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:27.570000Z",
"spacegroup": 63
},
{
"id": "mp-997016",
"created_at": "2022-09-04T14:45:23.344027Z",
"structure_string": "Ag2 Cl2 O4\n1.0\n10.325769 2.583260 0.000000\n-10.325769 2.583260 0.000000\n0.000000 0.036027 3.475242\nAg Cl O\n2 2 4\ndirect\n0.500000 0.000000 0.000000 Ag\n0.000000 0.500000 0.500000 Ag\n0.661770 0.338230 0.250000 Cl\n0.338230 0.661770 0.750000 Cl\n0.086130 0.152290 0.248230 O\n0.847710 0.913870 0.251770 O\n0.152290 0.086130 0.748230 O\n0.913870 0.847710 0.751770 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ag",
"Cl",
"O"
],
"chemical_system": "Ag-Cl-O",
"density": 3.140544726177673,
"density_atomic": 0.04315035913906791,
"volume": 185.39822517391005,
"volume_molar": 13.956177608143273,
"formula_full": "Ag2 Cl2 O4",
"formula_reduced": "AgClO2",
"formula_anonymous": "ABC2",
"energy": -31.22577596,
"energy_per_atom": -3.903221995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.58177596,
"band_gap": 0.8646999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008787,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:01.146000Z",
"spacegroup": 15
}
]
}