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{
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{
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{
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{
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"id": "mp-1222552",
"created_at": "2022-09-04T14:40:52.237758Z",
"structure_string": "Li8 Zn2 In4 F24\n1.0\n4.872504 0.000000 0.000000\n0.000000 5.085866 0.000000\n0.000000 0.000000 18.059273\nLi Zn In F\n8 2 4 24\ndirect\n0.000000 0.000000 0.703883 Li\n0.500000 0.500000 0.792119 Li\n0.000000 0.500000 0.292119 Li\n0.500000 0.000000 0.203883 Li\n0.000000 0.000000 0.225264 Li\n0.500000 0.000000 0.725264 Li\n0.000000 0.000000 0.548541 Li\n0.500000 0.000000 0.048541 Li\n0.500000 0.500000 0.957032 Zn\n0.000000 0.500000 0.457032 Zn\n0.000000 0.000000 0.879020 In\n0.500000 0.500000 0.618031 In\n0.000000 0.500000 0.118031 In\n0.500000 0.000000 0.379020 In\n0.704695 0.690725 0.707467 F\n0.767251 0.159842 0.790563 F\n0.232749 0.840158 0.790563 F\n0.295305 0.309275 0.707467 F\n0.267251 0.840158 0.290563 F\n0.204695 0.309275 0.207467 F\n0.795305 0.690725 0.207467 F\n0.732749 0.159842 0.290563 F\n0.763739 0.671907 0.538479 F\n0.740120 0.167300 0.960782 F\n0.259880 0.832700 0.960782 F\n0.236261 0.328093 0.538479 F\n0.240120 0.832700 0.460782 F\n0.263739 0.328093 0.038479 F\n0.736261 0.671907 0.038479 F\n0.759880 0.167300 0.460782 F\n0.768372 0.667185 0.374964 F\n0.742988 0.165136 0.128249 F\n0.257012 0.834864 0.128249 F\n0.231628 0.332815 0.374964 F\n0.242988 0.834864 0.628249 F\n0.268372 0.332815 0.874964 F\n0.731628 0.667185 0.874964 F\n0.757012 0.165136 0.628249 F\n",
"nsites": 38,
"nelements": 4,
"elements": [
"Li",
"Zn",
"In",
"F"
],
"chemical_system": "F-In-Li-Zn",
"density": 4.087404619968569,
"density_atomic": 0.08491144187521327,
"volume": 447.5250821419944,
"volume_molar": 7.0922606270780335,
"formula_full": "Li8 Zn2 In4 F24",
"formula_reduced": "Li4ZnIn2F12",
"formula_anonymous": "AB2C4D12",
"energy": -186.65421049,
"energy_per_atom": -4.911952907631579,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -175.56621049,
"band_gap": 4.2884,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.11e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:57.371000Z",
"spacegroup": 30
}
]
}