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{
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{
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"created_at": "2022-09-04T14:46:20.016777Z",
"structure_string": "Sr1 Eu1 Zr1 Ti1 O6\n1.0\n0.000000 -4.086529 -4.086529\n4.086529 -0.000000 -4.086529\n4.086529 -4.086529 -0.000000\nSr Eu Zr Ti O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Eu\n0.500000 0.500000 0.500000 Zr\n0.000000 -0.000000 0.000000 Ti\n0.757497 0.242503 0.242503 O\n0.242503 0.757497 0.757497 O\n0.757497 0.242503 0.757497 O\n0.242503 0.757497 0.242503 O\n0.757497 0.757497 0.242503 O\n0.242503 0.242503 0.757497 O\n",
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"id": "mp-1228112",
"created_at": "2022-09-04T14:45:19.427920Z",
"structure_string": "Ba1 La1 Co1 Ir1 O6\n1.0\n5.672005 0.000000 0.000000\n-2.823322 4.947568 0.000000\n-2.763550 -1.655634 4.699501\nBa La Co Ir O\n1 1 1 1 6\ndirect\n0.999054 0.751557 0.749591 Ba\n0.989099 0.252025 0.236467 La\n0.498529 0.003947 0.501427 Co\n0.501651 0.499884 0.002001 Ir\n0.535631 0.735788 0.291527 O\n0.413435 0.259018 0.664679 O\n0.013147 0.282826 0.799504 O\n0.988102 0.686273 0.223462 O\n0.516963 0.223382 0.210944 O\n0.544389 0.805299 0.820398 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"La",
"Co",
"Ir",
"O"
],
"chemical_system": "Ba-Co-Ir-La-O",
"density": 7.849123951505523,
"density_atomic": 0.07582630208312922,
"volume": 131.88035978646153,
"volume_molar": 7.942020901135148,
"formula_full": "Ba1 La1 Co1 Ir1 O6",
"formula_reduced": "BaLaCoIrO6",
"formula_anonymous": "ABCDE6",
"energy": -75.07647988000001,
"energy_per_atom": -7.507647988,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -69.31647988,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.9919466,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:02.002000Z",
"spacegroup": 1
}
]
}