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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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{
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{
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{
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"id": "mp-1112569",
"created_at": "2022-09-04T14:40:41.477950Z",
"structure_string": "Cs2 Na1 Al1 F6\n1.0\n0.000000 4.375111 4.375111\n4.375111 0.000000 4.375111\n4.375111 4.375111 0.000000\nCs Na Al F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Al\n0.787186 0.212814 0.212814 F\n0.212814 0.212814 0.787186 F\n0.212814 0.787186 0.787186 F\n0.212814 0.787186 0.212814 F\n0.787186 0.212814 0.787186 F\n0.787186 0.787186 0.212814 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Na",
"Al",
"F"
],
"chemical_system": "Al-Cs-F-Na",
"density": 4.26079489824047,
"density_atomic": 0.05970391037470622,
"volume": 167.493216729679,
"volume_molar": 10.08667727491314,
"formula_full": "Cs2 Na1 Al1 F6",
"formula_reduced": "Cs2NaAlF6",
"formula_anonymous": "ABC2D6",
"energy": -52.3054218,
"energy_per_atom": -5.23054218,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -49.5334218,
"band_gap": 6.7033000000000005,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 3.9e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:05.448000Z",
"spacegroup": 225
}
]
}