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"formula_reduced": "KLaTiNbO6",
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"energy": -86.14321462999999,
"energy_per_atom": -8.614321463,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -82.02121463,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.2e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:45.130000Z",
"spacegroup": 216
},
{
"id": "mp-1519609",
"created_at": "2022-09-04T14:45:00.091791Z",
"structure_string": "Na1 Sr1 Ce1 Sb1 O6\n1.0\n-0.000000 -4.209981 -4.209981\n4.209981 0.000000 -4.209981\n4.209981 -4.209981 -0.000000\nNa Sr Ce Sb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Sr\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Sb\n0.737485 0.262515 0.262515 O\n0.262515 0.737485 0.737485 O\n0.737485 0.262515 0.737485 O\n0.262515 0.737485 0.262515 O\n0.737485 0.737485 0.262515 O\n0.262515 0.262515 0.737485 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Na",
"Sr",
"Ce",
"Sb",
"O"
],
"chemical_system": "Ce-Na-O-Sb-Sr",
"density": 5.212808374417071,
"density_atomic": 0.06700845380036762,
"volume": 149.23490146171883,
"volume_molar": 8.987135829072006,
"formula_full": "Na1 Sr1 Ce1 Sb1 O6",
"formula_reduced": "NaSrCeSbO6",
"formula_anonymous": "ABCDE6",
"energy": -70.7698807,
"energy_per_atom": -7.0769880700000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -66.6478807,
"band_gap": 1.9744,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:46.395000Z",
"spacegroup": 216
}
]
}