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"formula_full": "Ba1 Sr1 Eu1 Cr1 O6",
"formula_reduced": "BaSrEuCrO6",
"formula_anonymous": "ABCDE6",
"energy": -79.80298653,
"energy_per_atom": -7.980298653,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -73.68198653,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.9999999,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:19.872000Z",
"spacegroup": 216
},
{
"id": "mp-1043895",
"created_at": "2022-09-04T14:44:42.224965Z",
"structure_string": "Ca2 La2 Cr2 Fe2 O12\n1.0\n5.529269 0.000034 -0.000021\n0.000034 5.506513 0.011932\n-0.000029 0.017266 7.710564\nCa La Cr Fe O\n2 2 2 2 12\ndirect\n0.537501 0.511399 0.250406 Ca\n0.962502 0.011393 0.750398 Ca\n0.028429 0.991355 0.248519 La\n0.471570 0.491354 0.748523 La\n0.500492 0.999775 0.498946 Cr\n0.999513 0.499782 0.998937 Cr\n0.499715 0.999435 0.000097 Fe\n0.000286 0.499440 0.500095 Fe\n0.013567 0.580751 0.756889 O\n0.216218 0.216517 0.955774 O\n0.223961 0.208132 0.542435 O\n0.276034 0.708140 0.042437 O\n0.283787 0.716523 0.455776 O\n0.486429 0.080743 0.256892 O\n0.517105 0.927059 0.743864 O\n0.720507 0.279052 0.541694 O\n0.727264 0.286515 0.961376 O\n0.772737 0.786522 0.461375 O\n0.779489 0.779055 0.041695 O\n0.982895 0.427058 0.243871 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Ca",
"La",
"Cr",
"Fe",
"O"
],
"chemical_system": "Ca-Cr-Fe-La-O",
"density": 5.415597582400492,
"density_atomic": 0.08519254039819707,
"volume": 234.76233842210038,
"volume_molar": 7.068859235623226,
"formula_full": "Ca2 La2 Cr2 Fe2 O12",
"formula_reduced": "CaLaCrFeO6",
"formula_anonymous": "ABCDE6",
"energy": -164.23981429999998,
"energy_per_atom": -8.211990714999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -147.4858143,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.993967,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:45.612000Z",
"spacegroup": 7
}
]
}