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"updated_at": "2021-11-28T01:37:56.718000Z",
"spacegroup": 194
},
{
"id": "mp-1357103",
"created_at": "2022-09-04T14:45:10.510386Z",
"structure_string": "Al2 Ni6 F30\n1.0\n10.653695 0.000000 0.000000\n0.000000 5.872347 0.000000\n0.000000 2.401373 8.557121\nAl Ni F\n2 6 30\ndirect\n0.750000 0.433650 0.756549 Al\n0.250000 0.566350 0.243451 Al\n0.500000 0.000000 0.500000 Ni\n0.499714 0.017680 0.165606 Ni\n0.500286 0.982320 0.834394 Ni\n0.000000 0.000000 0.500000 Ni\n0.000286 0.017680 0.165606 Ni\n0.999714 0.982320 0.834394 Ni\n0.750000 0.573253 0.564565 F\n0.750000 0.646897 0.203028 F\n0.750000 0.606863 0.878427 F\n0.250000 0.426747 0.435435 F\n0.250000 0.393137 0.121573 F\n0.250000 0.353103 0.796972 F\n0.411061 0.124382 0.632972 F\n0.400697 0.115165 0.328827 F\n0.409414 0.138330 0.960500 F\n0.588939 0.875618 0.367028 F\n0.590586 0.861670 0.039500 F\n0.599303 0.884835 0.671173 F\n0.093088 0.738772 0.554445 F\n0.120461 0.752506 0.206945 F\n0.090199 0.720906 0.873715 F\n0.906912 0.261228 0.445555 F\n0.909801 0.279094 0.126285 F\n0.879539 0.247494 0.793055 F\n0.593088 0.261228 0.445555 F\n0.590199 0.279094 0.126285 F\n0.620461 0.247494 0.793055 F\n0.406912 0.738772 0.554445 F\n0.379539 0.752506 0.206945 F\n0.409801 0.720906 0.873715 F\n0.088939 0.124382 0.632972 F\n0.099303 0.115165 0.328827 F\n0.090586 0.138330 0.960500 F\n0.911061 0.875618 0.367028 F\n0.909414 0.861670 0.039500 F\n0.900697 0.884835 0.671173 F\n",
"nsites": 38,
"nelements": 3,
"elements": [
"Al",
"Ni",
"F"
],
"chemical_system": "Al-F-Ni",
"density": 3.027560978637633,
"density_atomic": 0.07098130077529907,
"volume": 535.3522629895746,
"volume_molar": 8.484122852388833,
"formula_full": "Al2 Ni6 F30",
"formula_reduced": "AlNi3F15",
"formula_anonymous": "AB3C15",
"energy": -168.84271916999998,
"energy_per_atom": -4.443229451842105,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -139.73671917,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.2791967,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:49.894000Z",
"spacegroup": 11
}
]
}