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{
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"updated_at": "2021-11-28T01:36:06.859000Z",
"spacegroup": 215
},
{
"id": "mp-1207624",
"created_at": "2022-09-04T14:47:58.534199Z",
"structure_string": "Y2 Zr2 F14\n1.0\n0.000000 -5.741965 0.000000\n-5.999498 0.000000 1.345868\n-0.089026 0.000000 -8.338569\nY Zr F\n2 2 14\ndirect\n0.696963 0.654977 0.683554 Y\n0.196963 0.345023 0.316446 Y\n0.706925 0.811622 0.223857 Zr\n0.206925 0.188378 0.776143 Zr\n0.890111 0.455123 0.477884 F\n0.390111 0.544877 0.522116 F\n0.426975 0.925085 0.768825 F\n0.926975 0.074915 0.231175 F\n0.944857 0.957958 0.759507 F\n0.444857 0.042042 0.240493 F\n0.994454 0.457440 0.786734 F\n0.494454 0.542560 0.213266 F\n0.703135 0.754493 0.974759 F\n0.203135 0.245507 0.025241 F\n0.710009 0.860492 0.473089 F\n0.210009 0.139508 0.526911 F\n0.502931 0.378923 0.781575 F\n0.002931 0.621077 0.218425 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Y",
"Zr",
"F"
],
"chemical_system": "F-Y-Zr",
"density": 3.611454686876891,
"density_atomic": 0.06251246366815273,
"volume": 287.94257886799915,
"volume_molar": 9.633504115224957,
"formula_full": "Y2 Zr2 F14",
"formula_reduced": "YZrF7",
"formula_anonymous": "ABC7",
"energy": -132.71143611,
"energy_per_atom": -7.372857561666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -126.24343611,
"band_gap": 5.9222,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001125,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:23.481000Z",
"spacegroup": 4
}
]
}