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{
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{
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{
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"structure_string": "Cs2 Er2 Ta12 Cl36\n1.0\n4.704012 -8.147588 0.000000\n4.704012 8.147588 0.000000\n0.000000 0.000000 17.477165\nCs Er Ta Cl\n2 2 12 36\ndirect\n0.333333 0.666667 0.750000 Cs\n0.666667 0.333333 0.250000 Cs\n0.666667 0.333333 0.750000 Er\n0.333333 0.666667 0.250000 Er\n0.040864 0.194022 0.067277 Ta\n0.153159 0.959136 0.067277 Ta\n0.805978 0.959136 0.432723 Ta\n0.846841 0.040864 0.932723 Ta\n0.846841 0.805978 0.567277 Ta\n0.194022 0.040864 0.567277 Ta\n0.959136 0.153159 0.567277 Ta\n0.040864 0.846841 0.432723 Ta\n0.153159 0.194022 0.432723 Ta\n0.194022 0.153159 0.932723 Ta\n0.805978 0.846841 0.067277 Ta\n0.959136 0.805978 0.932723 Ta\n0.184946 0.951611 0.840107 Cl\n0.861869 0.584906 0.498632 Cl\n0.233334 0.184946 0.159893 Cl\n0.723037 0.584906 0.001368 Cl\n0.184946 0.233334 0.659893 Cl\n0.276963 0.861869 0.501368 Cl\n0.723037 0.138131 0.498632 Cl\n0.355808 0.908083 0.161834 Cl\n0.138131 0.415094 0.501368 Cl\n0.644192 0.091917 0.838166 Cl\n0.447725 0.355808 0.838166 Cl\n0.815054 0.048389 0.159893 Cl\n0.584906 0.861869 0.998632 Cl\n0.091917 0.644192 0.338166 Cl\n0.138131 0.723037 0.998632 Cl\n0.415094 0.276963 0.498632 Cl\n0.048389 0.233334 0.840107 Cl\n0.276963 0.415094 0.998632 Cl\n0.815054 0.766666 0.340107 Cl\n0.951611 0.184946 0.340107 Cl\n0.355808 0.447725 0.338166 Cl\n0.766666 0.951611 0.659893 Cl\n0.552275 0.908083 0.338166 Cl\n0.951611 0.766666 0.159893 Cl\n0.415094 0.138131 0.001368 Cl\n0.048389 0.815054 0.659893 Cl\n0.552275 0.644192 0.161834 Cl\n0.908083 0.355808 0.661834 Cl\n0.644192 0.552275 0.661834 Cl\n0.447725 0.091917 0.661834 Cl\n0.233334 0.048389 0.340107 Cl\n0.908083 0.552275 0.838166 Cl\n0.584906 0.723037 0.501368 Cl\n0.861869 0.276963 0.001368 Cl\n0.766666 0.815054 0.840107 Cl\n0.091917 0.447725 0.161834 Cl\n",
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{
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"structure_string": "Ca8 S8 O28\n1.0\n0.000000 5.699947 0.000000\n0.000000 0.000000 9.906963\n11.044310 0.000000 0.000000\nCa S O\n8 8 28\ndirect\n0.429913 0.628778 0.130671 Ca\n0.070087 0.128778 0.369329 Ca\n0.070087 0.371222 0.630671 Ca\n0.429913 0.871222 0.869329 Ca\n0.570087 0.371222 0.869329 Ca\n0.929913 0.871222 0.630671 Ca\n0.929913 0.628778 0.369329 Ca\n0.570087 0.128778 0.130671 Ca\n0.876770 0.867020 0.125003 S\n0.623230 0.367020 0.374997 S\n0.623230 0.132980 0.625003 S\n0.876770 0.632980 0.874997 S\n0.123230 0.132980 0.874997 S\n0.376770 0.632980 0.625003 S\n0.376770 0.867020 0.374997 S\n0.123230 0.367020 0.125003 S\n0.673492 0.904670 0.041770 O\n0.826508 0.404670 0.458230 O\n0.826508 0.095330 0.541770 O\n0.673492 0.595330 0.958230 O\n0.326508 0.095330 0.958230 O\n0.173492 0.595330 0.541770 O\n0.173492 0.904670 0.458230 O\n0.326508 0.404670 0.041770 O\n0.904602 0.988340 0.207966 O\n0.595398 0.488340 0.292034 O\n0.595398 0.011660 0.707966 O\n0.904602 0.511660 0.792034 O\n0.095398 0.011660 0.792034 O\n0.404602 0.511660 0.707966 O\n0.404602 0.988340 0.292034 O\n0.095398 0.488340 0.207966 O\n0.792936 0.747526 0.199258 O\n0.707064 0.247526 0.300742 O\n0.707064 0.252474 0.699258 O\n0.792936 0.752474 0.800742 O\n0.207064 0.252474 0.800742 O\n0.292936 0.752474 0.699258 O\n0.292936 0.747526 0.300742 O\n0.207064 0.247526 0.199258 O\n0.188573 0.750000 0.000000 O\n0.311427 0.250000 0.500000 O\n0.811427 0.250000 0.000000 O\n0.688573 0.750000 0.500000 O\n",
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{
"id": "mp-572864",
"created_at": "2022-09-04T14:39:26.008007Z",
"structure_string": "Rb20 Th4 P12 S48\n1.0\n10.185078 0.000000 0.000000\n0.000000 13.575209 0.000000\n0.000000 3.751890 18.268883\nRb Th P S\n20 4 12 48\ndirect\n0.663965 0.196108 0.716943 Rb\n0.181804 0.480734 0.129286 Rb\n0.818196 0.519266 0.870714 Rb\n0.384226 0.153766 0.192557 Rb\n0.163965 0.803892 0.783057 Rb\n0.115774 0.153766 0.692557 Rb\n0.144760 0.147761 0.450705 Rb\n0.615774 0.846234 0.807443 Rb\n0.118801 0.485196 0.374498 Rb\n0.884226 0.846234 0.307443 Rb\n0.618801 0.514804 0.125502 Rb\n0.644760 0.852239 0.049295 Rb\n0.881199 0.514804 0.625502 Rb\n0.355240 0.147761 0.950705 Rb\n0.855240 0.852239 0.549295 Rb\n0.336035 0.803892 0.283057 Rb\n0.836035 0.196108 0.216943 Rb\n0.681804 0.519266 0.370714 Rb\n0.318196 0.480734 0.629286 Rb\n0.381199 0.485196 0.874498 Rb\n0.600411 0.182614 0.463834 Th\n0.899589 0.182614 0.963834 Th\n0.100411 0.817386 0.036166 Th\n0.399589 0.817386 0.536166 Th\n0.088821 0.030022 0.131324 P\n0.099887 0.353450 0.820575 P\n0.400113 0.353450 0.320575 P\n0.635940 0.283427 0.018361 P\n0.599887 0.646550 0.679425 P\n0.135940 0.716573 0.481639 P\n0.911179 0.969978 0.868676 P\n0.364060 0.716573 0.981639 P\n0.864060 0.283427 0.518361 P\n0.900113 0.646550 0.179425 P\n0.411179 0.030022 0.631324 P\n0.588821 0.969978 0.368676 P\n0.305260 0.646684 0.457999 S\n0.035956 0.338267 0.546922 S\n0.088683 0.022918 0.239686 S\n0.694740 0.353316 0.542001 S\n0.900552 0.661124 0.066196 S\n0.964044 0.661733 0.453078 S\n0.668856 0.134195 0.065846 S\n0.404211 0.178244 0.577198 S\n0.599448 0.661124 0.566196 S\n0.414881 0.499909 0.269878 S\n0.194740 0.646684 0.957999 S\n0.535956 0.661733 0.953078 S\n0.464044 0.338267 0.046922 S\n0.850138 0.288686 0.407156 S\n0.932510 0.270669 0.806981 S\n0.251630 0.955416 0.102286 S\n0.168856 0.865805 0.434154 S\n0.914881 0.500091 0.230122 S\n0.350138 0.711314 0.092844 S\n0.831144 0.134195 0.565846 S\n0.099448 0.338876 0.933804 S\n0.248370 0.955416 0.602286 S\n0.732148 0.706131 0.211366 S\n0.572105 0.970107 0.586508 S\n0.649862 0.288686 0.907156 S\n0.904211 0.821756 0.922802 S\n0.411317 0.022918 0.739686 S\n0.067490 0.729331 0.193019 S\n0.427895 0.029893 0.413492 S\n0.095789 0.178244 0.077198 S\n0.911317 0.977082 0.760314 S\n0.085119 0.499909 0.769878 S\n0.331144 0.865805 0.934154 S\n0.927895 0.970107 0.086508 S\n0.588683 0.977082 0.260314 S\n0.751630 0.044584 0.397714 S\n0.595789 0.821756 0.422802 S\n0.072105 0.029893 0.913492 S\n0.400552 0.338876 0.433804 S\n0.748370 0.044584 0.897714 S\n0.432510 0.729331 0.693019 S\n0.232148 0.293869 0.288634 S\n0.767852 0.706131 0.711366 S\n0.149862 0.711314 0.592844 S\n0.567490 0.270669 0.306981 S\n0.805260 0.353316 0.042001 S\n0.585119 0.500091 0.730122 S\n0.267852 0.293869 0.788634 S\n",
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{
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{
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"structure_string": "Li8 Al6 Ge6 Cl2 O24\n1.0\n8.718040 0.000000 0.000000\n0.000000 8.718040 0.000000\n0.000000 0.000000 8.718040\nLi Al Ge Cl O\n8 6 6 2 24\ndirect\n0.826943 0.826943 0.173057 Li\n0.826943 0.173057 0.826943 Li\n0.326943 0.673057 0.326943 Li\n0.173057 0.173057 0.173057 Li\n0.673057 0.673057 0.673057 Li\n0.326943 0.326943 0.673057 Li\n0.673057 0.326943 0.326943 Li\n0.173057 0.826943 0.826943 Li\n0.000000 0.750000 0.500000 Al\n0.250000 0.500000 0.000000 Al\n0.500000 0.000000 0.750000 Al\n0.500000 0.000000 0.250000 Al\n0.000000 0.250000 0.500000 Al\n0.750000 0.500000 0.000000 Al\n0.000000 0.500000 0.250000 Ge\n0.500000 0.750000 0.000000 Ge\n0.500000 0.250000 0.000000 Ge\n0.000000 0.500000 0.750000 Ge\n0.750000 0.000000 0.500000 Ge\n0.250000 0.000000 0.500000 Ge\n0.000000 0.000000 0.000000 Cl\n0.500000 0.500000 0.500000 Cl\n0.401877 0.862098 0.862275 O\n0.637725 0.362098 0.098123 O\n0.137725 0.598123 0.862098 O\n0.637902 0.901877 0.637725 O\n0.901877 0.362275 0.362098 O\n0.137902 0.862275 0.598123 O\n0.137725 0.401877 0.137902 O\n0.362275 0.637902 0.098123 O\n0.362098 0.901877 0.362275 O\n0.862275 0.598123 0.137902 O\n0.362275 0.362098 0.901877 O\n0.862098 0.137725 0.598123 O\n0.598123 0.137902 0.862275 O\n0.401877 0.137902 0.137725 O\n0.862275 0.401877 0.862098 O\n0.598123 0.862098 0.137725 O\n0.137902 0.137725 0.401877 O\n0.637902 0.098123 0.362275 O\n0.862098 0.862275 0.401877 O\n0.362098 0.098123 0.637725 O\n0.637725 0.637902 0.901877 O\n0.901877 0.637725 0.637902 O\n0.098123 0.362275 0.637902 O\n0.098123 0.637725 0.362098 O\n",
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"spacegroup": 70
}
]
}