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"id": "mp-20643",
"created_at": "2022-09-04T14:41:51.366068Z",
"structure_string": "Y4 Ru4 O14\n1.0\n0.000000 5.131026 5.131026\n5.131026 0.000000 5.131026\n5.131026 5.131026 0.000000\nY Ru O\n4 4 14\ndirect\n0.125000 0.625000 0.125000 Y\n0.125000 0.125000 0.625000 Y\n0.625000 0.125000 0.125000 Y\n0.125000 0.125000 0.125000 Y\n0.625000 0.125000 0.625000 Ru\n0.625000 0.625000 0.125000 Ru\n0.125000 0.625000 0.625000 Ru\n0.625000 0.625000 0.625000 Ru\n0.000000 0.000000 0.000000 O\n0.250000 0.250000 0.250000 O\n0.288128 0.288128 0.711872 O\n0.538128 0.538128 0.961872 O\n0.711872 0.288128 0.711872 O\n0.711872 0.288128 0.288128 O\n0.288128 0.711872 0.711872 O\n0.288128 0.711872 0.288128 O\n0.711872 0.711872 0.288128 O\n0.961872 0.538128 0.538128 O\n0.538128 0.961872 0.961872 O\n0.961872 0.961872 0.538128 O\n0.961872 0.538128 0.961872 O\n0.538128 0.961872 0.538128 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Y",
"Ru",
"O"
],
"chemical_system": "O-Ru-Y",
"density": 6.047212212318132,
"density_atomic": 0.08142917583041152,
"volume": 270.1734332399274,
"volume_molar": 7.3955565662877545,
"formula_full": "Y4 Ru4 O14",
"formula_reduced": "Y2Ru2O7",
"formula_anonymous": "A2B2C7",
"energy": -188.76728707,
"energy_per_atom": -8.580331230454545,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -179.14928707,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.1339802,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:26.573000Z",
"spacegroup": 227
}
]
}