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"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-1518304",
"created_at": "2022-09-04T14:44:23.578132Z",
"structure_string": "Ba1 Sr1 Dy1 Nb1 O6\n1.0\n0.000000 -4.251141 -4.251141\n4.251141 0.000000 -4.251141\n4.251141 -4.251141 -0.000000\nBa Sr Dy Nb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.500000 Nb\n0.737317 0.262683 0.262683 O\n0.262683 0.737317 0.737317 O\n0.737317 0.262683 0.737317 O\n0.262683 0.737317 0.262683 O\n0.737317 0.737317 0.262683 O\n0.262683 0.262683 0.737317 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Dy",
"Nb",
"O"
],
"chemical_system": "Ba-Dy-Nb-O-Sr",
"density": 6.228575088258893,
"density_atomic": 0.06508088877675447,
"volume": 153.65493907593637,
"volume_molar": 9.253316715845132,
"formula_full": "Ba1 Sr1 Dy1 Nb1 O6",
"formula_reduced": "BaSrDyNbO6",
"formula_anonymous": "ABCDE6",
"energy": -82.32254553000001,
"energy_per_atom": -8.232254553,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -78.20054553,
"band_gap": 2.8763,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:37.644000Z",
"spacegroup": 216
}
]
}