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{
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"id": "mp-1251148",
"created_at": "2022-09-04T14:43:17.090462Z",
"structure_string": "Al2 F6\n1.0\n7.031410 1.440388 6.169268\n-2.126060 2.138362 2.035009\n-4.696197 -3.120493 -1.739855\nAl F\n2 6\ndirect\n0.555116 0.305898 0.035186 Al\n0.830414 0.305516 0.847128 Al\n0.193221 0.305753 0.440719 F\n0.694026 0.305827 0.943259 F\n0.835988 0.805479 0.859500 F\n0.548853 0.805971 0.022160 F\n0.911727 0.293666 0.654656 F\n0.473518 0.317619 0.227391 F\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Al",
"F"
],
"chemical_system": "Al-F",
"density": 2.726775486958584,
"density_atomic": 0.07821701202312996,
"volume": 102.27953987342649,
"volume_molar": 7.699272324822585,
"formula_full": "Al2 F6",
"formula_reduced": "AlF3",
"formula_anonymous": "AB3",
"energy": -49.63377671,
"energy_per_atom": -6.20422208875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -46.86177671,
"band_gap": 7.4507,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003371,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:10.631000Z",
"spacegroup": 10
}
]
}