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0.495487 Ca\n0.522623 0.625285 0.995795 Ca\n0.478089 0.375089 0.505428 Ca\n0.477319 0.874926 0.004631 Ca\n0.477429 0.874898 0.504412 Ca\n0.977644 0.375136 0.004115 Ca\n0.976738 0.375262 0.504788 Ca\n0.977255 0.874862 0.004513 Ca\n0.977377 0.874715 0.504205 Ca\n0.226764 0.375274 0.744290 Ca\n0.227116 0.874586 0.245640 Ca\n0.227157 0.874755 0.745456 Ca\n0.729150 0.374994 0.246686 Ca\n0.727851 0.374973 0.744968 Ca\n0.727641 0.875031 0.245691 Ca\n0.727412 0.875023 0.745446 Ca\n0.273236 0.124726 0.755709 Ca\n0.272883 0.625414 0.254359 Ca\n0.272842 0.625245 0.754545 Ca\n0.770850 0.125006 0.253314 Ca\n0.772149 0.125027 0.755031 Ca\n0.772359 0.624969 0.254309 Ca\n0.772588 0.624977 0.754555 Ca\n0.998183 0.998236 0.249134 Mn\n0.000096 0.999210 0.751792 Mn\n0.998939 0.500794 0.249863 Mn\n0.999857 0.500195 0.749950 Mn\n0.501061 0.999206 0.250137 Mn\n0.500143 0.999805 0.750050 Mn\n0.501817 0.501764 0.250866 Mn\n0.499904 0.500790 0.748208 Mn\n0.250212 0.999160 0.998274 Mn\n0.250827 0.998564 0.501379 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0.481134 0.281723 Sb\n0.937731 0.637900 0.030886 Sb\n0.965321 0.018866 0.218277 Sb\n0.534679 0.518866 0.718277 Sb\n0.562269 0.137900 0.530886 Sb\n0.437731 0.862100 0.469114 Sb\n0.456179 0.982969 0.290428 Sb\n0.309527 0.937645 0.369538 Sb\n0.956179 0.517031 0.209572 Sb\n0.809527 0.562355 0.130462 Sb\n0.190473 0.437645 0.869538 Sb\n0.690473 0.062355 0.630462 Sb\n0.768561 0.156439 0.938350 Sb\n0.543821 0.017031 0.709572 Sb\n0.268561 0.343561 0.561650 Sb\n0.395359 0.055600 0.624039 Sb\n0.034679 0.981134 0.781723 Sb\n0.283769 0.433949 0.386636 Sb\n0.783769 0.066051 0.113364 Sb\n0.379644 0.379367 0.984862 Sb\n0.895359 0.444400 0.875961 Sb\n0.216231 0.933949 0.886636 Sb\n0.839782 0.281779 0.691827 Pb\n0.069595 0.897210 0.953010 Pb\n0.677519 0.730187 0.791308 Pb\n0.930405 0.102790 0.046990 Pb\n0.838646 0.774108 0.693530 Pb\n0.661354 0.274108 0.193530 Pb\n0.569595 0.602790 0.546990 Pb\n0.500231 0.179539 0.877181 Pb\n0.094935 0.072144 0.131073 Pb\n0.233020 0.356659 0.040379 Pb\n0.161354 0.225892 0.306470 Pb\n0.266980 0.856659 0.540379 Pb\n0.322481 0.269813 0.208692 Pb\n0.999840 0.186947 0.388702 Pb\n0.499769 0.820461 0.122819 Pb\n0.160218 0.718221 0.308173 Pb\n0.999769 0.679539 0.377181 Pb\n0.430405 0.397210 0.453010 Pb\n0.766980 0.643341 0.959621 Pb\n0.000231 0.320461 0.622819 Pb\n0.339782 0.218221 0.808173 Pb\n0.674965 0.226728 0.795058 Pb\n0.338646 0.725892 0.806470 Pb\n0.500160 0.686947 0.888702 Pb\n0.365024 0.881801 0.985975 Pb\n0.594935 0.427856 0.368927 Pb\n0.822481 0.230187 0.291308 Pb\n0.177519 0.769813 0.708692 Pb\n0.865024 0.618199 0.514025 Pb\n0.634976 0.118199 0.014025 Pb\n0.660218 0.781779 0.191827 Pb\n0.174965 0.273272 0.704942 Pb\n0.825035 0.726728 0.295058 Pb\n0.325035 0.773272 0.204942 Pb\n0.905065 0.927856 0.868927 Pb\n0.000160 0.813053 0.611298 Pb\n0.499840 0.313053 0.111298 Pb\n0.733020 0.143341 0.459621 Pb\n0.405065 0.572144 0.631073 Pb\n0.134976 0.381801 0.485975 Pb\n0.914643 0.555508 0.631940 S\n0.444321 0.141479 0.014073 S\n0.633917 0.370406 0.488938 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Cs\n0.105858 0.878405 0.391483 Cs\n0.394142 0.378405 0.608517 Cs\n0.894142 0.121595 0.608517 Cs\n0.605858 0.621595 0.391483 Cs\n0.605858 0.121595 0.108517 Cs\n0.394142 0.878405 0.891483 Cs\n0.664907 0.879584 0.925817 Zn\n0.335093 0.120416 0.074183 Zn\n0.335093 0.620416 0.425817 Zn\n0.164907 0.120416 0.574183 Zn\n0.664907 0.379584 0.574183 Zn\n0.835093 0.879584 0.425817 Zn\n0.835093 0.379584 0.074183 Zn\n0.164907 0.620416 0.925817 Zn\n0.924406 0.836304 0.642055 Si\n0.075594 0.163696 0.357945 Si\n0.075594 0.663696 0.142055 Si\n0.424406 0.163696 0.857945 Si\n0.924406 0.336304 0.857945 Si\n0.575594 0.836304 0.142055 Si\n0.575594 0.336304 0.357945 Si\n0.424406 0.663696 0.642055 Si\n0.882730 0.914834 0.851668 Si\n0.117270 0.085166 0.148332 Si\n0.117270 0.585166 0.351668 Si\n0.382730 0.085166 0.648332 Si\n0.882730 0.414834 0.648332 Si\n0.617270 0.914834 0.351668 Si\n0.617270 0.414834 0.148332 Si\n0.382730 0.585166 0.851668 Si\n0.636577 0.593019 0.683903 Si\n0.363423 0.406981 0.316097 Si\n0.363423 0.906981 0.183903 Si\n0.136577 0.406981 0.816097 Si\n0.636577 0.093019 0.816097 Si\n0.863423 0.593019 0.183903 Si\n0.863423 0.093019 0.316097 Si\n0.136577 0.906981 0.683903 Si\n0.837645 0.628451 0.598235 Si\n0.162355 0.371549 0.401765 Si\n0.162355 0.871549 0.098235 Si\n0.337645 0.371549 0.901765 Si\n0.837645 0.128451 0.901765 Si\n0.662355 0.628451 0.098235 Si\n0.662355 0.128451 0.401765 Si\n0.337645 0.871549 0.598235 Si\n0.597017 0.656770 0.887996 Si\n0.402983 0.343230 0.112004 Si\n0.402983 0.843230 0.387996 Si\n0.097017 0.343230 0.612004 Si\n0.597017 0.156770 0.612004 Si\n0.902983 0.656770 0.387996 Si\n0.902983 0.156770 0.112004 Si\n0.097017 0.843230 0.887996 Si\n0.882071 0.900023 0.556782 O\n0.117929 0.099977 0.443218 O\n0.117929 0.599977 0.056782 O\n0.382071 0.099977 0.943218 O\n0.882071 0.400023 0.943218 O\n0.617929 0.900023 0.056782 O\n0.617929 0.400023 0.443218 O\n0.382071 0.599977 0.556782 O\n0.624213 0.981026 0.836830 O\n0.375787 0.018974 0.163170 O\n0.375787 0.518974 0.336830 O\n0.124213 0.018974 0.663170 O\n0.624213 0.481026 0.663170 O\n0.875787 0.981026 0.336830 O\n0.875787 0.481026 0.163170 O\n0.124213 0.518974 0.836830 O\n0.992496 0.897963 0.891325 O\n0.007504 0.102037 0.108675 O\n0.007504 0.602037 0.391325 O\n0.492496 0.102037 0.608675 O\n0.992496 0.397963 0.608675 O\n0.507504 0.897963 0.391325 O\n0.507504 0.397963 0.108675 O\n0.492496 0.602037 0.891325 O\n0.724192 0.647990 0.623856 O\n0.275808 0.352010 0.376144 O\n0.275808 0.852010 0.123856 O\n0.224192 0.352010 0.876144 O\n0.724192 0.147990 0.876144 O\n0.775808 0.647990 0.123856 O\n0.775808 0.147990 0.376144 O\n0.224192 0.852010 0.623856 O\n0.875039 0.534346 0.657902 O\n0.124961 0.465654 0.342098 O\n0.124961 0.965654 0.157902 O\n0.375039 0.465654 0.842098 O\n0.875039 0.034346 0.842098 O\n0.624961 0.534346 0.157902 O\n0.624961 0.034346 0.342098 O\n0.375039 0.965654 0.657902 O\n0.660220 0.610569 0.798556 O\n0.339780 0.389431 0.201444 O\n0.339780 0.889431 0.298556 O\n0.160220 0.389431 0.701444 O\n0.660220 0.110569 0.701444 O\n0.839780 0.610569 0.298556 O\n0.839780 0.110569 0.201444 O\n0.160220 0.889431 0.798556 O\n0.873617 0.871839 0.742539 O\n0.126383 0.128161 0.257461 O\n0.126383 0.628161 0.242539 O\n0.373617 0.128161 0.757461 O\n0.873617 0.371839 0.757461 O\n0.626383 0.871839 0.242539 O\n0.626383 0.371839 0.257461 O\n0.373617 0.628161 0.742539 O\n0.586463 0.770745 0.881858 O\n0.413537 0.229255 0.118142 O\n0.413537 0.729255 0.381858 O\n0.086463 0.229255 0.618142 O\n0.586463 0.270745 0.618142 O\n0.913537 0.770745 0.381858 O\n0.913537 0.270745 0.118142 O\n0.086463 0.729255 0.881858 O\n0.542537 0.659170 0.653492 O\n0.457463 0.340830 0.346508 O\n0.457463 0.840830 0.153492 O\n0.042537 0.340830 0.846508 O\n0.542537 0.159170 0.846508 O\n0.957463 0.659170 0.153492 O\n0.957463 0.159170 0.346508 O\n0.042537 0.840830 0.653492 O\n0.904203 0.718662 0.633343 O\n0.095797 0.281338 0.366657 O\n0.095797 0.781338 0.133343 O\n0.404203 0.281338 0.866657 O\n0.904203 0.218662 0.866657 O\n0.595797 0.718662 0.133343 O\n0.595797 0.218662 0.366657 O\n0.404203 0.781338 0.633343 O\n0.805400 0.867133 0.922078 O\n0.194600 0.132867 0.077922 O\n0.194600 0.632867 0.422078 O\n0.305400 0.132867 0.577922 O\n0.805400 0.367133 0.577922 O\n0.694600 0.867133 0.422078 O\n0.694600 0.367133 0.077922 O\n0.305400 0.632867 0.922078 O\n0.655898 0.614399 0.982674 O\n0.344102 0.385601 0.017326 O\n0.344102 0.885601 0.482674 O\n0.155898 0.385601 0.517326 O\n0.655898 0.114399 0.517326 O\n0.844102 0.614399 0.482674 O\n0.844102 0.114399 0.017326 O\n0.155898 0.885601 0.982674 O\n","nsites":160,"nelements":4,"elements":["Cs","Zn","Si","O"],"chemical_system":"Cs-O-Si-Zn","density":3.270223308605813,"density_atomic":0.059350669158066645,"volume":2695.8415510678974,"volume_molar":10.146710804492255,"formula_full":"Cs16 Zn8 Si40 O96","formula_reduced":"Cs2ZnSi5O12","formula_anonymous":"AB2C5D12","energy":-1196.36376188,"energy_per_atom":-7.477273511750001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1130.41176188,"band_gap":4.182,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0080204,"is_theoretical":true,"updated_at":"2021-11-28T01:35:04.851000Z","spacegroup":61}]}