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{
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{
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"id": "mp-806082",
"created_at": "2022-09-04T14:48:27.116899Z",
"structure_string": "Li14 Fe6 O16\n1.0\n5.550521 0.000000 0.000000\n-2.541518 -7.323031 0.000000\n0.722356 3.741594 -9.744041\nLi Fe O\n14 6 16\ndirect\n0.284799 0.183062 0.933373 Li\n0.317121 0.621405 0.946348 Li\n0.143627 0.537017 0.665605 Li\n0.467551 0.825483 0.722355 Li\n0.580780 0.799299 0.561039 Li\n0.460050 0.187896 0.779627 Li\n0.284016 0.579298 0.483844 Li\n0.715984 0.420702 0.516156 Li\n0.539950 0.812104 0.220373 Li\n0.419220 0.200701 0.438961 Li\n0.532449 0.174517 0.277645 Li\n0.856373 0.462983 0.334395 Li\n0.682879 0.378595 0.053652 Li\n0.715201 0.816938 0.066627 Li\n0.808185 0.419700 0.854204 Fe\n0.947612 0.990817 0.838064 Fe\n0.059887 0.068322 0.621800 Fe\n0.940113 0.931678 0.378200 Fe\n0.052388 0.009183 0.161936 Fe\n0.191815 0.580300 0.145796 Fe\n0.909667 0.218079 0.845410 O\n0.486221 0.488493 0.763008 O\n0.266249 0.860456 0.953340 O\n0.649327 0.760163 0.875845 O\n0.100053 0.693097 0.796864 O\n0.076474 0.269762 0.658963 O\n0.632392 0.754151 0.460153 O\n0.235648 0.886389 0.481860 O\n0.764352 0.113611 0.518140 O\n0.367608 0.245849 0.539847 O\n0.923526 0.730238 0.341037 O\n0.899947 0.306903 0.203136 O\n0.350673 0.239837 0.124155 O\n0.733751 0.139544 0.046660 O\n0.513779 0.511507 0.236992 O\n0.090333 0.781921 0.154590 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Li",
"Fe",
"O"
],
"chemical_system": "Fe-Li-O",
"density": 2.885504448786921,
"density_atomic": 0.0908947449542512,
"volume": 396.0625008422586,
"volume_molar": 6.625400360638055,
"formula_full": "Li14 Fe6 O16",
"formula_reduced": "Li7Fe3O8",
"formula_anonymous": "A3B7C8",
"energy": -142.89402147,
"energy_per_atom": -3.969278374166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -118.36602147000002,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 20.1600124,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:17.001000Z",
"spacegroup": 2
},
{
"id": "mp-505515",
"created_at": "2022-09-04T14:48:21.748331Z",
"structure_string": "Sr2 Cu4 Sb4\n1.0\n4.553885 0.000000 0.000000\n0.000000 4.553885 0.000000\n0.000000 0.000000 10.970882\nSr Cu Sb\n2 4 4\ndirect\n0.500000 0.000000 0.237085 Sr\n0.000000 0.500000 0.762915 Sr\n0.500000 0.000000 0.636141 Cu\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500000 0.363859 Cu\n0.500000 0.500000 0.000000 Cu\n0.000000 0.500000 0.129827 Sb\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.500000 Sb\n0.500000 0.000000 0.870173 Sb\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Sr",
"Cu",
"Sb"
],
"chemical_system": "Cu-Sb-Sr",
"density": 6.688963794727389,
"density_atomic": 0.043953588492633255,
"volume": 227.5127092677775,
"volume_molar": 13.701135598995126,
"formula_full": "Sr2 Cu4 Sb4",
"formula_reduced": "Sr(CuSb)2",
"formula_anonymous": "AB2C2",
"energy": -41.43818369,
"energy_per_atom": -4.143818369,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.67018369,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.005117,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:40.228000Z",
"spacegroup": 129
}
]
}