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"chemical_system": "Nb-Pb",
"density": 10.32250259445563,
"density_atomic": 0.05117194078073105,
"volume": 156.33567689526492,
"volume_molar": 11.768443150914564,
"formula_full": "Nb6 Pb2",
"formula_reduced": "Nb3Pb",
"formula_anonymous": "AB3",
"energy": -67.06758012,
"energy_per_atom": -8.383447515,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -67.06758012,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.1174088,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:37.422000Z",
"spacegroup": 223
},
{
"id": "mp-5104",
"created_at": "2022-09-04T14:48:11.860911Z",
"structure_string": "Ca2 Zn2 F8\n1.0\n-2.676020 2.676020 5.609722\n2.676020 -2.676020 5.609722\n2.676020 2.676020 -5.609722\nCa Zn F\n2 2 8\ndirect\n0.250000 0.750000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.750000 0.250000 0.500000 Zn\n0.000000 0.000000 0.000000 Zn\n0.100964 0.513628 0.940023 F\n0.910941 0.350964 0.087336 F\n0.263628 0.823605 0.912664 F\n0.573605 0.160941 0.059977 F\n0.176395 0.089059 0.440023 F\n0.486372 0.426395 0.587336 F\n0.839059 0.899036 0.412664 F\n0.649036 0.736372 0.559977 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ca",
"Zn",
"F"
],
"chemical_system": "Ca-F-Zn",
"density": 3.750846483264137,
"density_atomic": 0.07467946625483377,
"volume": 160.68674030223505,
"volume_molar": 8.063984736380203,
"formula_full": "Ca2 Zn2 F8",
"formula_reduced": "CaZnF4",
"formula_anonymous": "ABC4",
"energy": -62.73675537,
"energy_per_atom": -5.2280629475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -59.04075537,
"band_gap": 5.1236,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0009371,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:36.030000Z",
"spacegroup": 88
}
]
}