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"density_atomic": 0.06834374868263271,
"volume": 468.22131675273084,
"volume_molar": 8.81154586349216,
"formula_full": "Y10 O8 F14",
"formula_reduced": "Y5O4F7",
"formula_anonymous": "A4B5C7",
"energy": -261.39880699,
"energy_per_atom": -8.1687127184375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -249.43480699,
"band_gap": 4.2791,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0022577,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:38.741000Z",
"spacegroup": 7
},
{
"id": "mp-1224964",
"created_at": "2022-09-04T14:47:11.077905Z",
"structure_string": "Gd4 Cu5 P7\n1.0\n-2.637879 2.637879 9.838193\n2.637879 -2.637879 9.838193\n2.637879 2.637879 -9.838193\nGd Cu P\n4 5 7\ndirect\n0.626277 0.138587 0.000000 Gd\n0.138587 0.626277 0.000000 Gd\n0.373723 0.373723 0.512309 Gd\n0.861413 0.861413 0.487691 Gd\n0.749718 0.749718 0.000000 Cu\n0.250282 0.250282 0.000000 Cu\n0.250000 0.750000 0.500000 Cu\n0.750000 0.250000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.419805 0.925992 0.000000 P\n0.925992 0.419805 0.000000 P\n0.580195 0.580195 0.506187 P\n0.074008 0.074008 0.493813 P\n0.500000 0.500000 0.000000 P\n0.500000 0.000000 0.500000 P\n0.000000 0.500000 0.500000 P\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Gd",
"Cu",
"P"
],
"chemical_system": "Cu-Gd-P",
"density": 7.055823512801638,
"density_atomic": 0.05842986895474078,
"volume": 273.8325497938982,
"volume_molar": 10.306613497053524,
"formula_full": "Gd4 Cu5 P7",
"formula_reduced": "Gd4Cu5P7",
"formula_anonymous": "A4B5C7",
"energy": -127.57174003,
"energy_per_atom": -7.973233751875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -127.57174003,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 27.8231597,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:00.872000Z",
"spacegroup": 121
}
]
}