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"energy_uncorrected": -197.71143893,
"band_gap": 1.4272999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0015313,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:56.832000Z",
"spacegroup": 2
},
{
"id": "mp-1044082",
"created_at": "2022-09-04T14:39:58.944659Z",
"structure_string": "La2 Zn2 Fe2 Mo2 O12\n1.0\n-0.001207 5.534585 0.026332\n0.009343 0.040816 7.775858\n5.969696 -0.001315 0.007125\nLa Zn Fe Mo O\n2 2 2 2 12\ndirect\n0.978794 0.247426 0.069875 La\n0.479346 0.748173 0.430808 La\n0.477091 0.253688 0.386249 Zn\n0.977744 0.753478 0.112971 Zn\n0.495551 0.504409 0.973922 Fe\n0.994912 0.003622 0.524914 Fe\n0.999828 0.496598 0.529289 Mo\n0.499312 0.996846 0.970002 Mo\n0.633292 0.752173 0.033414 O\n0.132872 0.251805 0.468071 O\n0.203431 0.941706 0.183010 O\n0.703190 0.442053 0.316557 O\n0.175781 0.549735 0.212382 O\n0.675275 0.049550 0.288465 O\n0.908953 0.747895 0.493768 O\n0.407612 0.247513 0.006310 O\n0.304511 0.552420 0.678598 O\n0.804133 0.053116 0.821522 O\n0.323953 0.953548 0.717186 O\n0.824417 0.454248 0.782687 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"La",
"Zn",
"Fe",
"Mo",
"O"
],
"chemical_system": "Fe-La-Mo-O-Zn",
"density": 5.84434069514442,
"density_atomic": 0.07784951082990148,
"volume": 256.9059174141674,
"volume_molar": 7.735617983725256,
"formula_full": "La2 Zn2 Fe2 Mo2 O12",
"formula_reduced": "LaZnFeMoO6",
"formula_anonymous": "ABCDE6",
"energy": -156.6487653,
"energy_per_atom": -7.832438265,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -137.4887653,
"band_gap": 1.7031999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.19e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.659000Z",
"spacegroup": 7
}
]
}