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"volume_molar": 8.854199468446492,
"formula_full": "Sr1 Ca1 Tb1 Sb1 O6",
"formula_reduced": "SrCaTbSbO6",
"formula_anonymous": "ABCDE6",
"energy": -71.9792864,
"energy_per_atom": -7.197928640000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -67.8572864,
"band_gap": 3.3076000000000003,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:33.946000Z",
"spacegroup": 216
},
{
"id": "mp-1520379",
"created_at": "2022-09-04T14:39:07.112153Z",
"structure_string": "Sr1 Ca1 Y1 V1 O6\n1.0\n-0.000000 -4.092032 -4.092032\n4.092032 0.000000 -4.092032\n4.092032 -4.092032 -0.000000\nSr Ca Y V O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Ca\n0.500000 0.500000 0.500000 Y\n-0.000000 -0.000000 -0.000000 V\n0.768750 0.231250 0.231250 O\n0.231250 0.768750 0.768750 O\n0.768750 0.231250 0.768750 O\n0.231250 0.768750 0.231250 O\n0.768750 0.768750 0.231250 O\n0.231250 0.231250 0.768750 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Y",
"V",
"O"
],
"chemical_system": "Ca-O-Sr-V-Y",
"density": 4.405105677137457,
"density_atomic": 0.07297144402139354,
"volume": 137.03990833822928,
"volume_molar": 8.252736177503143,
"formula_full": "Sr1 Ca1 Y1 V1 O6",
"formula_reduced": "SrCaYVO6",
"formula_anonymous": "ABCDE6",
"energy": -79.81287909000001,
"energy_per_atom": -7.981287909000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -73.99087909,
"band_gap": 1.6094000000000004,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:35.329000Z",
"spacegroup": 216
}
]
}