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{
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"energy_uncorrected": -80.23687705,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9999998,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:00.133000Z",
"spacegroup": 216
},
{
"id": "mp-1522214",
"created_at": "2022-09-04T14:46:38.902539Z",
"structure_string": "Ba1 Sr1 Y1 V1 O6\n1.0\n0.000000 -4.144616 -4.144616\n4.144616 0.000000 -4.144616\n4.144616 -4.144616 0.000000\nBa Sr Y V 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 Y\n0.000000 0.000000 0.000000 V\n0.769304 0.230696 0.230696 O\n0.230696 0.769304 0.769304 O\n0.769304 0.230696 0.769304 O\n0.230696 0.769304 0.230696 O\n0.769304 0.769304 0.230696 O\n0.230696 0.230696 0.769304 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Sr",
"Y",
"V",
"O"
],
"chemical_system": "Ba-O-Sr-V-Y",
"density": 5.3736571794745025,
"density_atomic": 0.07022910061012136,
"volume": 142.39111583551747,
"volume_molar": 8.574993425349511,
"formula_full": "Ba1 Sr1 Y1 V1 O6",
"formula_reduced": "BaSrYVO6",
"formula_anonymous": "ABCDE6",
"energy": -80.35645266,
"energy_per_atom": -8.035645266,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -74.53445266,
"band_gap": 1.6099000000000006,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:47.587000Z",
"spacegroup": 216
}
]
}