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"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0006264,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:59.515000Z",
"spacegroup": 12
},
{
"id": "mp-1213822",
"created_at": "2022-09-04T14:47:34.715434Z",
"structure_string": "Ce2 Tl2 W4 O16\n1.0\n5.463627 5.491132 0.000000\n-5.463627 5.491132 0.000000\n0.000000 4.741749 5.769424\nCe Tl W O\n2 2 4 16\ndirect\n0.776547 0.223453 0.750000 Ce\n0.223453 0.776547 0.250000 Ce\n0.204409 0.795591 0.750000 Tl\n0.795591 0.204409 0.250000 Tl\n0.700169 0.686699 0.784217 W\n0.299831 0.313301 0.215783 W\n0.313301 0.299831 0.715783 W\n0.686699 0.700169 0.284217 W\n0.622391 0.752219 0.556859 O\n0.377609 0.247781 0.443141 O\n0.247781 0.377609 0.943141 O\n0.752219 0.622391 0.056859 O\n0.381733 0.068117 0.869231 O\n0.618267 0.931883 0.130769 O\n0.931883 0.618267 0.630769 O\n0.068117 0.381733 0.369231 O\n0.585133 0.371050 0.971154 O\n0.414867 0.628950 0.028846 O\n0.628950 0.414867 0.528846 O\n0.371050 0.585133 0.471154 O\n0.785149 0.952117 0.686757 O\n0.214851 0.047883 0.313243 O\n0.047883 0.214851 0.813243 O\n0.952117 0.785149 0.186757 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Ce",
"Tl",
"W",
"O"
],
"chemical_system": "Ce-O-Tl-W",
"density": 8.06015160425658,
"density_atomic": 0.06932755163297212,
"volume": 346.1827142989083,
"volume_molar": 8.686504309112044,
"formula_full": "Ce2 Tl2 W4 O16",
"formula_reduced": "CeTl(WO4)2",
"formula_anonymous": "ABC2D8",
"energy": -206.80845007,
"energy_per_atom": -8.617018752916666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -178.06445007,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9998833,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:12.769000Z",
"spacegroup": 15
}
]
}