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"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -71.45178632,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:36.024000Z",
"spacegroup": 216
},
{
"id": "mp-1218130",
"created_at": "2022-09-04T14:41:54.181734Z",
"structure_string": "Sr2 Nd2 Fe2 Ru2 O12\n1.0\n5.646121 0.000000 0.000000\n0.000000 5.587957 0.000000\n0.000000 5.556487 7.879999\nSr Nd Fe Ru O\n2 2 2 2 12\ndirect\n0.719668 0.753489 0.750224 Sr\n0.280332 0.753489 0.250224 Sr\n0.201672 0.236123 0.749326 Nd\n0.798328 0.236123 0.249326 Nd\n0.254884 0.499607 0.999653 Fe\n0.745116 0.499607 0.499653 Fe\n0.252008 0.999710 0.500516 Ru\n0.747992 0.999710 0.000516 Ru\n0.025889 0.764053 0.461227 O\n0.542655 0.247940 0.044086 O\n0.459604 0.839499 0.955573 O\n0.975318 0.183486 0.539424 O\n0.457345 0.247940 0.544086 O\n0.974111 0.764053 0.961227 O\n0.024682 0.183486 0.039424 O\n0.540396 0.839499 0.455573 O\n0.262011 0.660720 0.750120 O\n0.773528 0.315373 0.749853 O\n0.226472 0.315373 0.249853 O\n0.737989 0.660720 0.250120 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Sr",
"Nd",
"Fe",
"Ru",
"O"
],
"chemical_system": "Fe-Nd-O-Ru-Sr",
"density": 6.4757261655495695,
"density_atomic": 0.08044528537587119,
"volume": 248.61618560431899,
"volume_molar": 7.486008324617473,
"formula_full": "Sr2 Nd2 Fe2 Ru2 O12",
"formula_reduced": "SrNdFeRuO6",
"formula_anonymous": "ABCDE6",
"energy": -157.4036341,
"energy_per_atom": -7.870181705,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -144.6476341,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.0071064,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:31.931000Z",
"spacegroup": 7
}
]
}