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O\n0.857186 0.170524 0.449426 O\n0.642814 0.670524 0.050574 O\n0.041718 0.384332 0.924182 O\n0.458282 0.884332 0.575818 O\n0.458282 0.615668 0.424182 O\n0.041718 0.115668 0.075818 O\n0.958282 0.615668 0.075818 O\n0.541718 0.115668 0.424182 O\n0.541718 0.384332 0.575818 O\n0.958282 0.884332 0.924182 O\n0.011210 0.188536 0.060203 O\n0.488790 0.688536 0.439797 O\n0.488790 0.811464 0.560203 O\n0.011210 0.311464 0.939797 O\n0.988790 0.811464 0.939797 O\n0.511210 0.311464 0.560203 O\n0.511210 0.188536 0.439797 O\n0.988790 0.688536 0.060203 O\n","nsites":160,"nelements":3,"elements":["Ba","Mo","O"],"chemical_system":"Ba-Mo-O","density":3.9290190845599446,"density_atomic":0.06217787397381899,"volume":2573.2626378857954,"volume_molar":9.68534363612323,"formula_full":"Ba8 Mo32 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0.877479 0.378570 Rb\n0.633799 0.622521 0.621430 Rb\n0.133799 0.622521 0.878570 Rb\n0.633799 0.877479 0.121430 Rb\n0.866201 0.122521 0.621430 Rb\n0.366201 0.377479 0.378570 Rb\n0.387067 0.837948 0.939297 Cd\n0.887067 0.662052 0.060703 Cd\n0.612933 0.337948 0.560703 Cd\n0.112933 0.162052 0.439297 Cd\n0.612933 0.162052 0.060703 Cd\n0.112933 0.337948 0.939297 Cd\n0.387067 0.662052 0.439297 Cd\n0.887067 0.837948 0.560703 Cd\n0.342525 0.913100 0.160385 Si\n0.842525 0.586900 0.839615 Si\n0.657475 0.413100 0.339615 Si\n0.157475 0.086900 0.660385 Si\n0.657475 0.086900 0.839615 Si\n0.157475 0.413100 0.160385 Si\n0.342525 0.586900 0.660385 Si\n0.842525 0.913100 0.339615 Si\n0.402108 0.371866 0.689947 Si\n0.902108 0.128134 0.310053 Si\n0.597892 0.871866 0.810053 Si\n0.097892 0.628134 0.189947 Si\n0.597892 0.628134 0.310053 Si\n0.097892 0.871866 0.689947 Si\n0.402108 0.128134 0.189947 Si\n0.902108 0.371866 0.810053 Si\n0.157989 0.594167 0.393945 Si\n0.657989 0.905833 0.606055 Si\n0.842011 0.094167 0.106055 Si\n0.342011 0.405833 0.893945 Si\n0.842011 0.405833 0.606055 Si\n0.342011 0.094167 0.393945 Si\n0.157989 0.905833 0.893945 Si\n0.657989 0.594167 0.106055 Si\n0.080414 0.112748 0.869637 Si\n0.580414 0.387252 0.130363 Si\n0.919586 0.612748 0.630363 Si\n0.419586 0.887252 0.369637 Si\n0.919586 0.887252 0.130363 Si\n0.419586 0.612748 0.869637 Si\n0.080414 0.387252 0.369637 Si\n0.580414 0.112748 0.630363 Si\n0.635000 0.675790 0.902996 Si\n0.135000 0.824210 0.097004 Si\n0.365000 0.175790 0.597004 Si\n0.865000 0.324210 0.402996 Si\n0.365000 0.324210 0.097004 Si\n0.865000 0.175790 0.902996 Si\n0.635000 0.824210 0.402996 Si\n0.135000 0.675790 0.597004 Si\n0.372955 0.159327 0.299971 O\n0.872955 0.340673 0.700029 O\n0.627045 0.659327 0.200029 O\n0.127045 0.840673 0.799971 O\n0.627045 0.840673 0.700029 O\n0.127045 0.659327 0.299971 O\n0.372955 0.340673 0.799971 O\n0.872955 0.159327 0.200029 O\n0.628486 0.180134 0.551060 O\n0.128486 0.319866 0.448940 O\n0.371514 0.680134 0.948940 O\n0.871514 0.819866 0.051060 O\n0.371514 0.819866 0.448940 O\n0.871514 0.680134 0.551060 O\n0.628486 0.319866 0.051060 O\n0.128486 0.180134 0.948940 O\n0.726636 0.885489 0.361751 O\n0.226636 0.614511 0.638249 O\n0.273364 0.385489 0.138249 O\n0.773364 0.114511 0.861751 O\n0.273364 0.114511 0.638249 O\n0.773364 0.385489 0.361751 O\n0.726636 0.614511 0.861751 O\n0.226636 0.885489 0.138249 O\n0.420322 0.632621 0.588607 O\n0.920322 0.867379 0.411393 O\n0.579678 0.132621 0.911393 O\n0.079678 0.367379 0.088607 O\n0.579678 0.367379 0.411393 O\n0.079678 0.132621 0.588607 O\n0.420322 0.867379 0.088607 O\n0.920322 0.632621 0.911393 O\n0.161783 0.968465 0.662786 O\n0.661783 0.531535 0.337214 O\n0.838217 0.468465 0.837214 O\n0.338217 0.031535 0.162786 O\n0.838217 0.031535 0.337214 O\n0.338217 0.468465 0.662786 O\n0.161783 0.531535 0.162786 O\n0.229707 0.437921 0.896408 O\n0.661783 0.968465 0.837214 O\n0.982211 0.617638 0.177406 O\n0.517789 0.382362 0.677406 O\n0.017789 0.117638 0.322594 O\n0.517789 0.117638 0.177406 O\n0.017789 0.382362 0.822594 O\n0.482211 0.617638 0.322594 O\n0.982211 0.882362 0.677406 O\n0.861407 0.626610 0.731343 O\n0.361407 0.873390 0.268657 O\n0.138593 0.126610 0.768657 O\n0.638593 0.373390 0.231343 O\n0.138593 0.373390 0.268657 O\n0.638593 0.126610 0.731343 O\n0.861407 0.873390 0.231343 O\n0.361407 0.626610 0.768657 O\n0.149874 0.709947 0.120293 O\n0.649874 0.790053 0.879707 O\n0.850126 0.209947 0.379707 O\n0.350126 0.290053 0.620293 O\n0.850126 0.290053 0.879707 O\n0.350126 0.209947 0.120293 O\n0.149874 0.790053 0.620293 O\n0.649874 0.709947 0.379707 O\n0.462354 0.365128 0.151074 O\n0.962354 0.134872 0.848926 O\n0.537646 0.865128 0.348926 O\n0.037646 0.634872 0.651074 O\n0.537646 0.634872 0.848926 O\n0.037646 0.865128 0.151074 O\n0.462354 0.134872 0.651074 O\n0.962354 0.365128 0.348926 O\n0.081084 0.502513 0.398766 O\n0.581084 0.997487 0.601234 O\n0.918916 0.002513 0.101234 O\n0.418916 0.497487 0.898766 O\n0.918916 0.497487 0.601234 O\n0.418916 0.002513 0.398766 O\n0.081084 0.997487 0.898766 O\n0.581084 0.502513 0.101234 O\n0.373360 0.167310 0.482083 O\n0.873360 0.332690 0.517917 O\n0.626640 0.667310 0.017917 O\n0.126640 0.832690 0.982083 O\n0.626640 0.832690 0.517917 O\n0.126640 0.667310 0.482083 O\n0.373360 0.332690 0.982083 O\n0.873360 0.167310 0.017917 O\n0.729707 0.437921 0.603592 O\n0.229707 0.062079 0.396408 O\n0.270293 0.937921 0.896408 O\n0.770293 0.562079 0.103592 O\n0.270293 0.562079 0.396408 O\n0.770293 0.937921 0.603592 O\n0.729707 0.062079 0.103592 O\n0.482211 0.882362 0.822594 O\n","nsites":160,"nelements":4,"elements":["Rb","Cd","Si","O"],"chemical_system":"Cd-O-Rb-Si","density":3.0600316200514674,"density_atomic":0.059853626923983994,"volume":2673.1880459509175,"volume_molar":10.06144668166611,"formula_full":"Rb16 Cd8 Si40 O96","formula_reduced":"Rb2CdSi5O12","formula_anonymous":"AB2C5D12","energy":-1186.93134307,"energy_per_atom":-7.4183208941875,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1120.97934307,"band_gap":3.7913,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0011122,"is_theoretical":false,"updated_at":"2021-11-28T01:38:26.026000Z","spacegroup":61}]}