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Pb\n0.768658 0.332663 0.344239 Pb\n0.238099 0.650578 0.677282 Pb\n0.761901 0.650578 0.677282 Pb\n0.231342 0.332663 0.344239 Pb\n0.500000 0.019037 0.377839 S\n0.500000 0.600793 0.019303 S\n0.661694 0.074218 0.281855 O\n0.661460 0.644792 0.072996 O\n0.684909 0.253744 0.647390 O\n0.184386 0.910181 0.750565 O\n0.187480 0.354187 0.904334 O\n0.185389 0.749973 0.341535 O\n0.815614 0.910181 0.750565 O\n0.812520 0.354187 0.904334 O\n0.814611 0.749973 0.341535 O\n0.338306 0.074218 0.281855 O\n0.338540 0.644792 0.072996 O\n0.315091 0.253744 0.647390 O\n0.500000 0.083653 0.482161 O\n0.500000 0.432304 0.085354 O\n0.500000 0.501384 0.403700 O\n0.000000 0.881133 0.521393 O\n0.000000 0.599091 0.880896 O\n0.000000 0.521154 0.597423 O\n0.500000 0.851152 0.469212 O\n0.500000 0.672975 0.852371 O\n0.500000 0.478055 0.702125 O\n0.000000 0.177737 0.508106 O\n0.000000 0.313982 0.181154 O\n0.000000 0.502985 0.320613 O\n","nsites":40,"nelements":4,"elements":["Ge","Pb","S","O"],"chemical_system":"Ge-O-Pb-S","density":6.80122278137659,"density_atomic":0.058289076040967114,"volume":686.2349297128494,"volume_molar":10.331508352898716,"formula_full":"Ge4 Pb10 S2 O24","formula_reduced":"Ge2Pb5SO12","formula_anonymous":"AB2C5D12","energy":-256.42915109,"energy_per_atom":-6.41072877725,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-239.94115109,"band_gap":2.9279,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0026768,"is_theoretical":true,"updated_at":"2021-11-28T01:35:01.519000Z","spacegroup":6}]}