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"id": "mp-613620",
"created_at": "2022-09-04T14:40:55.173580Z",
"structure_string": "Rh16 O24\n1.0\n5.229338 0.000000 0.000000\n0.000000 5.513634 0.000000\n0.000000 0.000000 14.960029\nRh O\n16 24\ndirect\n0.498710 0.189995 0.074859 Rh\n0.001290 0.810005 0.574859 Rh\n0.501297 0.736326 0.678677 Rh\n0.498703 0.236326 0.821323 Rh\n0.998703 0.263674 0.178677 Rh\n0.001297 0.763674 0.321323 Rh\n0.501297 0.763674 0.178677 Rh\n0.498703 0.263674 0.321323 Rh\n0.998710 0.310005 0.925141 Rh\n0.498710 0.310005 0.574859 Rh\n0.998710 0.189995 0.425141 Rh\n0.501290 0.689995 0.425141 Rh\n0.998703 0.236326 0.678677 Rh\n0.001297 0.736326 0.821323 Rh\n0.001290 0.689995 0.074859 Rh\n0.501290 0.810005 0.925141 Rh\n0.801578 0.979970 0.123586 O\n0.148947 0.348892 0.052612 O\n0.642070 0.627841 0.297233 O\n0.301578 0.979970 0.376414 O\n0.357930 0.372159 0.702767 O\n0.301578 0.520030 0.876414 O\n0.148947 0.151108 0.552612 O\n0.351053 0.651108 0.552612 O\n0.142070 0.627841 0.202767 O\n0.648947 0.348892 0.447388 O\n0.698422 0.020030 0.623586 O\n0.198422 0.020030 0.876414 O\n0.142070 0.872159 0.702767 O\n0.851053 0.651108 0.947388 O\n0.648947 0.151108 0.947388 O\n0.351053 0.848892 0.052612 O\n0.851053 0.848892 0.447388 O\n0.357930 0.127841 0.202767 O\n0.642070 0.872159 0.797233 O\n0.801578 0.520030 0.623586 O\n0.698422 0.479970 0.123586 O\n0.198422 0.479970 0.376414 O\n0.857930 0.372159 0.797233 O\n0.857930 0.127841 0.297233 O\n",
"nsites": 40,
"nelements": 2,
"elements": [
"Rh",
"O"
],
"chemical_system": "O-Rh",
"density": 7.8168065087477565,
"density_atomic": 0.09273483606116503,
"volume": 431.3373668296263,
"volume_molar": 6.493935845239412,
"formula_full": "Rh16 O24",
"formula_reduced": "Rh2O3",
"formula_anonymous": "A2B3",
"energy": -279.38099973,
"energy_per_atom": -6.98452499325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -262.89299973,
"band_gap": 0.2374999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015112,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:00.129000Z",
"spacegroup": 61
}
]
}