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"id": "mp-1517761",
"created_at": "2022-09-04T14:40:20.484221Z",
"structure_string": "Ba1 Na1 Sm1 Mn1 O6\n1.0\n0.000000 -4.197468 -4.197468\n4.197468 0.000000 -4.197468\n4.197468 -4.197468 0.000000\nBa Na Sm Mn O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Sm\n0.000000 0.000000 0.000000 Mn\n0.772244 0.227756 0.227756 O\n0.227756 0.772244 0.772244 O\n0.772244 0.227756 0.772244 O\n0.227756 0.772244 0.227756 O\n0.772244 0.772244 0.227756 O\n0.227756 0.227756 0.772244 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Na",
"Sm",
"Mn",
"O"
],
"chemical_system": "Ba-Mn-Na-O-Sm",
"density": 5.182427926858045,
"density_atomic": 0.06760951532245216,
"volume": 147.90817464533936,
"volume_molar": 8.907238472688967,
"formula_full": "Ba1 Na1 Sm1 Mn1 O6",
"formula_reduced": "BaNaSmMnO6",
"formula_anonymous": "ABCDE6",
"energy": -70.21289334000001,
"energy_per_atom": -7.021289334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -64.42289334,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9999997,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:57.281000Z",
"spacegroup": 216
}
]
}