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"created_at": "2022-09-04T14:48:16.698297Z",
"structure_string": "Mg12 Ag8 Ge12 O48\n1.0\n-6.143411 6.143411 6.143411\n6.143411 -6.143411 6.143411\n6.143411 6.143411 -6.143411\nMg Ag Ge O\n12 8 12 48\ndirect\n0.250000 0.875000 0.625000 Mg\n0.750000 0.625000 0.875000 Mg\n0.625000 0.875000 0.750000 Mg\n0.875000 0.625000 0.250000 Mg\n0.625000 0.250000 0.875000 Mg\n0.875000 0.750000 0.625000 Mg\n0.750000 0.125000 0.375000 Mg\n0.250000 0.375000 0.125000 Mg\n0.375000 0.125000 0.250000 Mg\n0.125000 0.375000 0.750000 Mg\n0.375000 0.750000 0.125000 Mg\n0.125000 0.250000 0.375000 Mg\n0.500000 0.500000 0.500000 Ag\n0.500000 0.000000 0.500000 Ag\n0.000000 0.500000 0.500000 Ag\n0.500000 0.500000 0.000000 Ag\n0.000000 0.000000 0.500000 Ag\n0.000000 0.500000 0.000000 Ag\n0.500000 0.000000 0.000000 Ag\n0.000000 0.000000 0.000000 Ag\n0.125000 0.750000 0.875000 Ge\n0.875000 0.250000 0.125000 Ge\n0.625000 0.375000 0.250000 Ge\n0.750000 0.875000 0.125000 Ge\n0.875000 0.125000 0.750000 Ge\n0.250000 0.625000 0.375000 Ge\n0.750000 0.375000 0.625000 Ge\n0.250000 0.125000 0.875000 Ge\n0.125000 0.875000 0.250000 Ge\n0.375000 0.625000 0.750000 Ge\n0.625000 0.750000 0.375000 Ge\n0.375000 0.250000 0.625000 Ge\n0.407637 0.809437 0.772076 O\n0.864439 0.401800 0.092363 O\n0.098200 0.962639 0.690563 O\n0.537361 0.635561 0.727924 O\n0.690563 0.092363 0.727924 O\n0.635561 0.727924 0.537361 O\n0.635561 0.407637 0.098200 O\n0.727924 0.537361 0.635561 O\n0.809437 0.537361 0.401800 O\n0.962639 0.772076 0.864439 O\n0.772076 0.864439 0.962639 O\n0.727924 0.690563 0.092363 O\n0.407637 0.098200 0.635561 O\n0.401800 0.809437 0.537361 O\n0.092363 0.727924 0.690563 O\n0.098200 0.635561 0.407637 O\n0.537361 0.401800 0.809437 O\n0.092363 0.864439 0.401800 O\n0.962639 0.690563 0.098200 O\n0.190563 0.462639 0.598200 O\n0.690563 0.098200 0.962639 O\n0.772076 0.407637 0.809437 O\n0.401800 0.092363 0.864439 O\n0.864439 0.962639 0.772076 O\n0.592363 0.190563 0.227924 O\n0.135561 0.598200 0.907637 O\n0.901800 0.037361 0.309437 O\n0.462639 0.364439 0.272076 O\n0.309437 0.907637 0.272076 O\n0.364439 0.272076 0.462639 O\n0.364439 0.592363 0.901800 O\n0.272076 0.462639 0.364439 O\n0.135561 0.037361 0.227924 O\n0.598200 0.907637 0.135561 O\n0.227924 0.592363 0.190563 O\n0.190563 0.227924 0.592363 O\n0.309437 0.901800 0.037361 O\n0.037361 0.309437 0.901800 O\n0.907637 0.135561 0.598200 O\n0.462639 0.598200 0.190563 O\n0.901800 0.364439 0.592363 O\n0.907637 0.272076 0.309437 O\n0.598200 0.190563 0.462639 O\n0.592363 0.901800 0.364439 O\n0.272076 0.309437 0.907637 O\n0.227924 0.135561 0.037361 O\n0.037361 0.227924 0.135561 O\n0.809437 0.772076 0.407637 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Mg",
"Ag",
"Ge",
"O"
],
"chemical_system": "Ag-Ge-Mg-O",
"density": 5.0029563023878865,
"density_atomic": 0.08625837705259085,
"volume": 927.4461534469264,
"volume_molar": 6.981514104222438,
"formula_full": "Mg12 Ag8 Ge12 O48",
"formula_reduced": "Mg3Ag2(GeO4)3",
"formula_anonymous": "A2B3C3D12",
"energy": -479.73200394,
"energy_per_atom": -5.99665004925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -446.75600394,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9734802,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:46.075000Z",
"spacegroup": 230
}
]
}