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"energy_uncorrected": -277.06166745,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 19.6539625,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:47.877000Z",
"spacegroup": 15
},
{
"id": "mp-1345216",
"created_at": "2022-09-04T14:41:16.049065Z",
"structure_string": "Y4 Sb4 O14\n1.0\n0.000000 5.337061 5.337061\n5.337061 0.000000 5.337061\n5.337061 5.337061 0.000000\nY Sb O\n4 4 14\ndirect\n0.125000 0.125000 0.125000 Y\n0.625000 0.125000 0.125000 Y\n0.125000 0.125000 0.625000 Y\n0.125000 0.625000 0.125000 Y\n0.625000 0.625000 0.625000 Sb\n0.125000 0.625000 0.625000 Sb\n0.625000 0.625000 0.125000 Sb\n0.625000 0.125000 0.625000 Sb\n0.000000 0.000000 0.000000 O\n0.250000 0.250000 0.250000 O\n0.282015 0.282015 0.717985 O\n0.532015 0.532015 0.967985 O\n0.717985 0.282015 0.717985 O\n0.717985 0.282015 0.282015 O\n0.282015 0.717985 0.717985 O\n0.282015 0.717985 0.282015 O\n0.717985 0.717985 0.282015 O\n0.967985 0.532015 0.532015 O\n0.532015 0.967985 0.967985 O\n0.967985 0.967985 0.532015 O\n0.967985 0.532015 0.967985 O\n0.532015 0.967985 0.532015 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Y",
"Sb",
"O"
],
"chemical_system": "O-Sb-Y",
"density": 5.8255451891852115,
"density_atomic": 0.07235793852679945,
"volume": 304.0440406114083,
"volume_molar": 8.322709135459352,
"formula_full": "Y4 Sb4 O14",
"formula_reduced": "Y2Sb2O7",
"formula_anonymous": "A2B2C7",
"energy": -171.33452561,
"energy_per_atom": -7.787932982272727,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -161.71652561,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0017997,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:15.565000Z",
"spacegroup": 227
}
]
}