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"id": "mp-1190472",
"created_at": "2022-09-04T14:45:11.853347Z",
"structure_string": "Cs2 Ho4 Ag6 Te10\n1.0\n2.335532 -8.203549 0.000000\n2.335532 8.203549 0.000000\n0.000000 0.000000 18.638101\nCs Ho Ag Te\n2 4 6 10\ndirect\n0.557969 0.442031 0.250000 Cs\n0.442031 0.557969 0.750000 Cs\n0.692967 0.307033 0.905482 Ho\n0.307033 0.692967 0.094518 Ho\n0.692967 0.307033 0.594518 Ho\n0.307033 0.692967 0.405482 Ho\n0.841361 0.158639 0.250000 Ag\n0.158639 0.841361 0.750000 Ag\n0.081864 0.918136 0.462950 Ag\n0.918136 0.081864 0.537050 Ag\n0.081864 0.918136 0.037050 Ag\n0.918136 0.081864 0.962950 Ag\n0.068164 0.931836 0.882814 Te\n0.931836 0.068164 0.117186 Te\n0.068164 0.931836 0.617186 Te\n0.931836 0.068164 0.382814 Te\n0.681271 0.318729 0.430519 Te\n0.318729 0.681271 0.569481 Te\n0.681271 0.318729 0.069481 Te\n0.318729 0.681271 0.930519 Te\n0.245034 0.754966 0.250000 Te\n0.754966 0.245034 0.750000 Te\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Cs",
"Ho",
"Ag",
"Te"
],
"chemical_system": "Ag-Cs-Ho-Te",
"density": 6.623428721833469,
"density_atomic": 0.03080373834497698,
"volume": 714.1990284951058,
"volume_molar": 19.550032182967175,
"formula_full": "Cs2 Ho4 Ag6 Te10",
"formula_reduced": "CsHo2Ag3Te5",
"formula_anonymous": "AB2C3D5",
"energy": -91.8742937,
"energy_per_atom": -4.176104259090909,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -87.6542937,
"band_gap": 1.1763,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0003587,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:49.389000Z",
"spacegroup": 63
}
]
}