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"updated_at": "2021-11-28T01:37:58.481000Z",
"spacegroup": 216
},
{
"id": "mp-1521935",
"created_at": "2022-09-04T14:39:16.950997Z",
"structure_string": "Ba1 Na1 Ce1 Nb1 O6\n1.0\n0.000000 -4.262530 -4.262530\n4.262530 0.000000 -4.262530\n4.262530 -4.262530 0.000000\nBa Na Ce Nb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Na\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Nb\n0.737102 0.262898 0.262898 O\n0.262898 0.737102 0.737102 O\n0.737102 0.262898 0.737102 O\n0.262898 0.737102 0.262898 O\n0.737102 0.737102 0.262898 O\n0.262898 0.262898 0.737102 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Na",
"Ce",
"Nb",
"O"
],
"chemical_system": "Ba-Ce-Na-Nb-O",
"density": 5.245942469723719,
"density_atomic": 0.06456061495826201,
"volume": 154.89319620739255,
"volume_molar": 9.32788630327216,
"formula_full": "Ba1 Na1 Ce1 Nb1 O6",
"formula_reduced": "BaNaCeNbO6",
"formula_anonymous": "ABCDE6",
"energy": -80.79833808000001,
"energy_per_atom": -8.079833808,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -76.67633808,
"band_gap": 2.0255999999999994,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.115000Z",
"spacegroup": 216
}
]
}