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{
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"formula_full": "Ba1 Na1 Sb1 W1 O6",
"formula_reduced": "BaNaSbWO6",
"formula_anonymous": "ABCDE6",
"energy": -72.53385906,
"energy_per_atom": -7.253385906,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -63.97385906,
"band_gap": 1.3942999999999994,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:52.828000Z",
"spacegroup": 216
},
{
"id": "mp-1519400",
"created_at": "2022-09-04T14:43:10.827833Z",
"structure_string": "Ba1 Sr1 Nd1 Bi1 O6\n1.0\n0.000000 -4.409387 -4.409387\n4.409387 -0.000000 -4.409387\n4.409387 -4.409387 0.000000\nBa Sr Nd Bi O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Sr\n0.500000 0.500000 0.500000 Nd\n-0.000000 0.000000 0.000000 Bi\n0.759933 0.240067 0.240067 O\n0.240067 0.759933 0.759933 O\n0.759933 0.240067 0.759933 O\n0.240067 0.759933 0.240067 O\n0.759933 0.759933 0.240067 O\n0.240067 0.240067 0.759933 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Nd",
"Bi",
"O"
],
"chemical_system": "Ba-Bi-Nd-O-Sr",
"density": 6.529067627347044,
"density_atomic": 0.05832239531734021,
"volume": 171.460721830587,
"volume_molar": 10.325606016749997,
"formula_full": "Ba1 Sr1 Nd1 Bi1 O6",
"formula_reduced": "BaSrNdBiO6",
"formula_anonymous": "ABCDE6",
"energy": -68.89664698,
"energy_per_atom": -6.889664698,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -64.77464698,
"band_gap": 2.0013,
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"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:06.775000Z",
"spacegroup": 216
}
]
}