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"id": "mp-1209487",
"created_at": "2022-09-04T14:41:32.183073Z",
"structure_string": "Rb4 La4 Se8 O32\n1.0\n7.623787 0.000000 0.000000\n0.000000 9.103606 0.000000\n0.000000 0.312118 11.357777\nRb La Se O\n4 4 8 32\ndirect\n0.348851 0.432619 0.837942 Rb\n0.651149 0.567381 0.162058 Rb\n0.848851 0.567381 0.662058 Rb\n0.151149 0.432619 0.337941 Rb\n0.163737 0.943067 0.848009 La\n0.836263 0.056933 0.151991 La\n0.663737 0.056933 0.651991 La\n0.336263 0.943067 0.348009 La\n0.164153 0.188555 0.606607 Se\n0.835847 0.811445 0.393393 Se\n0.664153 0.811445 0.893393 Se\n0.335847 0.188555 0.106607 Se\n0.338680 0.722146 0.588810 Se\n0.661320 0.277854 0.411190 Se\n0.838680 0.277854 0.911190 Se\n0.161320 0.722146 0.088810 Se\n0.817038 0.869716 0.530899 O\n0.182962 0.130284 0.469101 O\n0.317038 0.130284 0.969101 O\n0.682962 0.869716 0.030899 O\n0.502835 0.908187 0.821365 O\n0.497165 0.091813 0.178635 O\n0.002835 0.091813 0.678635 O\n0.997165 0.908187 0.321365 O\n0.136279 0.367169 0.606260 O\n0.863721 0.632831 0.393740 O\n0.636279 0.632831 0.893740 O\n0.363721 0.367169 0.106260 O\n0.253351 0.702011 0.955657 O\n0.746649 0.297989 0.044343 O\n0.753351 0.297989 0.544343 O\n0.246649 0.702011 0.455657 O\n0.439491 0.887159 0.560430 O\n0.560509 0.112841 0.439570 O\n0.939491 0.112841 0.939570 O\n0.060509 0.887159 0.060430 O\n0.476536 0.592019 0.627843 O\n0.523464 0.407981 0.372157 O\n0.976536 0.407981 0.872157 O\n0.023464 0.592019 0.127843 O\n0.838097 0.860110 0.806268 O\n0.161903 0.139890 0.193732 O\n0.338097 0.139890 0.693732 O\n0.661903 0.860110 0.306268 O\n0.185233 0.746262 0.693025 O\n0.814767 0.253738 0.306975 O\n0.685233 0.253738 0.806975 O\n0.314767 0.746262 0.193025 O\n",
"nsites": 48,
"nelements": 4,
"elements": [
"Rb",
"La",
"Se",
"O"
],
"chemical_system": "La-O-Rb-Se",
"density": 4.299790535279441,
"density_atomic": 0.06089248424739112,
"volume": 788.2746219547861,
"volume_molar": 9.889793189473973,
"formula_full": "Rb4 La4 Se8 O32",
"formula_reduced": "RbLa(SeO4)2",
"formula_anonymous": "ABC2D8",
"energy": -307.68891153,
"energy_per_atom": -6.410185656875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -285.70491153,
"band_gap": 3.5194000000000005,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0030512,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:22.643000Z",
"spacegroup": 14
}
]
}