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{
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{
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{
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{
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{
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{
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{
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"id": "mp-1096838",
"created_at": "2022-09-04T14:48:26.133568Z",
"structure_string": "Ba2 Ag4 O4\n1.0\n-3.000696 3.000696 5.450180\n3.000696 -3.000696 5.450180\n3.000696 3.000696 -5.450180\nBa Ag O\n2 4 4\ndirect\n0.500000 0.500000 0.000000 Ba\n0.250000 0.750000 0.500000 Ba\n0.375000 0.125000 0.250000 Ag\n0.875000 0.125000 0.250000 Ag\n0.875000 0.625000 0.750000 Ag\n0.875000 0.125000 0.750000 Ag\n0.010020 0.510020 0.500000 O\n0.260020 0.260020 0.000000 O\n0.739980 0.739980 0.000000 O\n0.489980 0.989980 0.500000 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ba",
"Ag",
"O"
],
"chemical_system": "Ag-Ba-O",
"density": 6.514710857282753,
"density_atomic": 0.05094307595865671,
"volume": 196.29753036733757,
"volume_molar": 11.821313587124813,
"formula_full": "Ba2 Ag4 O4",
"formula_reduced": "Ba(AgO)2",
"formula_anonymous": "AB2C2",
"energy": -48.98956491,
"energy_per_atom": -4.898956491,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -46.24156491,
"band_gap": 1.7273,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0005698,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:18.937000Z",
"spacegroup": 141
}
]
}