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"nelements": 5,
"elements": [
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"La",
"Fe",
"W",
"O"
],
"chemical_system": "Fe-La-Na-O-W",
"density": 6.439923356725147,
"density_atomic": 0.07794201312853243,
"volume": 256.6010191065818,
"volume_molar": 7.726437281096426,
"formula_full": "Na2 La2 Fe2 W2 O12",
"formula_reduced": "NaLaFeWO6",
"formula_anonymous": "ABCDE6",
"energy": -166.17703703,
"energy_per_atom": -8.3088518515,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -144.54503703,
"band_gap": 2.2965,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0002479,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:32.940000Z",
"spacegroup": 4
},
{
"id": "mp-1105822",
"created_at": "2022-09-04T14:47:28.858169Z",
"structure_string": "Pr4 Cr4 O12\n1.0\n5.510799 0.000000 0.000000\n0.000000 5.632967 0.000000\n0.000000 0.000000 7.839413\nPr Cr O\n4 4 12\ndirect\n0.511793 0.548373 0.250000 Pr\n0.988207 0.048373 0.250000 Pr\n0.488207 0.451627 0.750000 Pr\n0.011793 0.951627 0.750000 Pr\n0.000000 0.500000 0.000000 Cr\n0.500000 0.000000 0.500000 Cr\n0.000000 0.500000 0.500000 Cr\n0.500000 0.000000 0.000000 Cr\n0.413682 0.977096 0.250000 O\n0.086318 0.477096 0.250000 O\n0.586318 0.022904 0.750000 O\n0.913682 0.522904 0.750000 O\n0.791733 0.790801 0.046234 O\n0.708267 0.290801 0.453766 O\n0.208267 0.209199 0.546234 O\n0.291733 0.709199 0.953766 O\n0.208267 0.209199 0.953766 O\n0.291733 0.709199 0.546234 O\n0.791733 0.790801 0.453766 O\n0.708267 0.290801 0.046234 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
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"Cr",
"O"
],
"chemical_system": "Cr-O-Pr",
"density": 6.5752774278507,
"density_atomic": 0.08218539995266044,
"volume": 243.35222571795217,
"volume_molar": 7.327506787664,
"formula_full": "Pr4 Cr4 O12",
"formula_reduced": "PrCrO3",
"formula_anonymous": "ABC3",
"energy": -179.60273219,
"energy_per_atom": -8.9801366095,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -163.36273218999995,
"band_gap": 2.0419,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 12.0008642,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:09.536000Z",
"spacegroup": 62
}
]
}