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0.167387 Li\n0.772110 0.283260 0.167388 Li\n0.625000 0.375000 0.250000 Li\n0.058496 0.441502 0.250000 Li\n0.125001 0.875000 0.250000 Li\n0.691503 0.808498 0.250001 Li\n0.615872 0.604722 0.332612 Li\n0.216740 0.727890 0.332614 Li\n0.441503 0.691503 0.383006 Li\n0.272110 0.104722 0.488850 Li\n0.716740 0.384127 0.488850 Li\n0.727890 0.895277 0.511149 Li\n0.283260 0.615874 0.511151 Li\n0.558497 0.308498 0.616996 Li\n0.783260 0.272110 0.667387 Li\n0.384128 0.395277 0.667387 Li\n0.874999 0.125000 0.749999 Li\n0.374999 0.624999 0.749999 Li\n0.308498 0.191503 0.750000 Li\n0.941503 0.558498 0.750001 Li\n0.227890 0.716740 0.832612 Li\n0.104723 0.115874 0.832614 Li\n0.191503 0.941502 0.883006 Li\n0.884127 0.216740 0.988849 Li\n0.604723 0.772110 0.988850 Li\n0.377215 0.749999 0.127215 Nd\n0.250001 0.377217 0.127217 Nd\n0.374999 0.125000 0.250000 Nd\n0.875000 0.625000 0.250000 Nd\n0.750001 0.122784 0.372783 Nd\n0.122784 0.250000 0.372784 Nd\n0.877216 0.749999 0.627216 Nd\n0.250001 0.877217 0.627217 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H\n0.812850 0.324674 0.121908 H\n0.687150 0.824674 0.121908 H\n0.658794 0.419799 0.175632 H\n0.841206 0.919799 0.175632 H\n0.158794 0.419799 0.324368 H\n0.341206 0.919799 0.324368 H\n0.312850 0.324674 0.378092 H\n0.187150 0.824674 0.378092 H\n0.806371 0.036318 0.436247 H\n0.693629 0.536318 0.436247 H\n0.129093 0.080802 0.457994 H\n0.370907 0.580802 0.457994 H\n0.629093 0.419198 0.542006 H\n0.870907 0.919198 0.542006 H\n0.306371 0.463682 0.563753 H\n0.193629 0.963682 0.563753 H\n0.812850 0.175326 0.621908 H\n0.687150 0.675326 0.621908 H\n0.658794 0.080201 0.675632 H\n0.841206 0.580201 0.675632 H\n0.158794 0.080201 0.824368 H\n0.341206 0.580201 0.824368 H\n0.312850 0.175326 0.878092 H\n0.187150 0.675326 0.878092 H\n0.806371 0.463682 0.936247 H\n0.693629 0.963682 0.936247 H\n0.129093 0.419198 0.957994 H\n0.370907 0.919198 0.957994 H\n0.157982 0.437319 0.053877 O\n0.342018 0.937319 0.053877 O\n0.913149 0.211116 0.055683 O\n0.586851 0.711116 0.055683 O\n0.204617 0.165235 0.109921 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0.575403 As\n0.062739 0.062739 0.625478 As\n0.770797 0.346200 0.742501 As\n0.471703 0.896301 0.742501 As\n0.278297 0.353699 0.757499 As\n0.979203 0.903800 0.757499 As\n0.687261 0.187261 0.874522 As\n0.778297 0.020797 0.924597 As\n0.646301 0.403800 0.924597 As\n0.176685 0.015393 0.036547 C\n0.359863 0.521154 0.036547 C\n0.766364 0.135962 0.067233 C\n0.800869 0.431271 0.067233 C\n0.449131 0.016364 0.130402 C\n0.181271 0.614038 0.130402 C\n0.984564 0.724494 0.151960 C\n0.667396 0.927465 0.151960 C\n0.984607 0.021154 0.161291 C\n0.676685 0.640137 0.161291 C\n0.474494 0.822535 0.239931 C\n0.265436 0.917396 0.239931 C\n0.484564 0.332604 0.260069 C\n0.275506 0.427465 0.260069 C\n0.765393 0.228846 0.338709 C\n0.073315 0.609863 0.338709 C\n0.082604 0.322535 0.348040 C\n0.765436 0.525506 0.348040 C\n0.300869 0.233636 0.369598 C\n0.568729 0.635962 0.369598 C\n0.983636 0.114038 0.432767 C\n0.949131 0.818729 0.432767 C\n0.573315 0.234607 0.463453 C\n0.390137 0.728846 0.463453 C\n0.771154 0.109863 0.536547 C\n0.265393 0.926685 0.536547 C\n0.385962 0.516364 0.567233 C\n0.681271 0.550869 0.567233 C\n0.266364 0.199131 0.630402 C\n0.864038 0.931271 0.630402 C\n0.177465 0.417396 0.651960 C\n0.974494 0.734564 0.651960 C\n0.890137 0.426685 0.661291 C\n0.271154 0.734607 0.661291 C\n0.167396 0.015436 0.739931 C\n0.072535 0.224494 0.739931 C\n0.677465 0.025506 0.760069 C\n0.582604 0.234564 0.760069 C\n0.478846 0.515393 0.838709 C\n0.859863 0.823315 0.838709 C\n0.775506 0.515436 0.848040 C\n0.572535 0.832604 0.848040 C\n0.483636 0.050869 0.869598 C\n0.885962 0.318729 0.869598 C\n0.068729 0.699131 0.932767 C\n0.364038 0.733636 0.932767 C\n0.978846 0.140137 0.963453 C\n0.484607 0.323315 0.963453 C\n0.250000 0.250000 0.000000 Nd\n0.750000 0.750000 0.000000 Nd\n0.625000 0.237323 0.112323 Nd\n0.987323 0.375000 0.112323 Nd\n0.125000 0.012677 0.387677 Nd\n0.762677 0.875000 0.387677 Nd\n0.500000 0.000000 0.500000 Nd\n0.000000 0.500000 0.500000 Nd\n0.487323 0.375000 0.612323 Nd\n0.625000 0.737323 0.612323 Nd\n0.125000 0.512677 0.887677 Nd\n0.262677 0.875000 0.887677 Nd\n0.375000 0.125000 0.250000 Sn\n0.875000 0.125000 0.250000 Sn\n0.375000 0.625000 0.250000 Sn\n0.875000 0.625000 0.250000 Sn\n0.375000 0.125000 0.750000 Sn\n0.875000 0.125000 0.750000 Sn\n0.375000 0.625000 0.750000 Sn\n0.875000 0.625000 0.750000 Sn\n","nsites":96,"nelements":4,"elements":["As","C","Nd","Sn"],"chemical_system":"As-C-Nd-Sn","density":6.410235947881646,"density_atomic":0.06920613430497621,"volume":1387.1602707492534,"volume_molar":8.701744174095538,"formula_full":"Nd12 Sn8 As28 C48","formula_reduced":"Nd3Sn2As7C12","formula_anonymous":"A2B3C7D12","formation_energy":1.10819805359573,"spacegroup":142},{"id":"oqmd-36499","created_at":"2022-09-04T15:52:21.289453Z","updated_at":"2022-09-04T15:52:21.289479Z","structure_string":"Cd8 B32 O56\n1.0\n8.179677 0.000000 0.000000\n0.000000 8.632820 0.000000\n0.000000 0.000000 14.122493\nB Cd O\n32 8 56\ndirect\n0.782274 0.363243 0.048140 B\n0.717726 0.863243 0.048140 B\n0.045810 0.222417 0.064251 B\n0.454190 0.722417 0.064251 B\n0.989835 0.449560 0.157857 B\n0.510166 0.949560 0.157857 B\n0.983752 0.183461 0.235212 B\n0.516249 0.683461 0.235212 B\n0.483751 0.183461 0.264788 B\n0.016249 0.683461 0.264788 B\n0.489835 0.449560 0.342143 B\n0.010165 0.949560 0.342143 B\n0.545810 0.222417 0.435749 B\n0.954190 0.722417 0.435749 B\n0.282274 0.363243 0.451861 B\n0.217726 0.863243 0.451861 B\n0.782274 0.136757 0.548140 B\n0.717726 0.636757 0.548140 B\n0.045810 0.277583 0.564252 B\n0.454190 0.777582 0.564252 B\n0.989835 0.050440 0.657858 B\n0.510166 0.550440 0.657858 B\n0.983752 0.316538 0.735212 B\n0.516249 0.816538 0.735212 B\n0.483751 0.316538 0.764788 B\n0.016249 0.816538 0.764788 B\n0.489835 0.050440 0.842142 B\n0.010165 0.550440 0.842142 B\n0.545810 0.277583 0.935748 B\n0.954190 0.777582 0.935748 B\n0.282274 0.136757 0.951860 B\n0.217726 0.636757 0.951860 B\n0.376882 0.388793 0.111484 Cd\n0.123119 0.888793 0.111484 Cd\n0.876882 0.388793 0.388516 Cd\n0.623119 0.888793 0.388516 Cd\n0.376882 0.111207 0.611484 Cd\n0.123119 0.611207 0.611484 Cd\n0.876882 0.111207 0.888516 Cd\n0.623119 0.611207 0.888516 Cd\n0.631692 0.373145 0.005389 O\n0.868308 0.873145 0.005389 O\n0.882096 0.241975 0.022603 O\n0.617905 0.741975 0.022603 O\n0.107776 0.373414 0.092818 O\n0.392225 0.873414 0.092818 O\n0.829049 0.467535 0.114121 O\n0.670952 0.967535 0.114121 O\n0.034047 0.121962 0.150602 O\n0.465954 0.621962 0.150602 O\n0.446657 0.099058 0.186392 O\n0.053343 0.599058 0.186392 O\n0.967398 0.342121 0.242740 O\n0.532603 0.842121 0.242740 O\n0.467397 0.342121 0.257261 O\n0.032603 0.842121 0.257261 O\n0.946657 0.099058 0.313608 O\n0.553343 0.599058 0.313608 O\n0.534047 0.121962 0.349399 O\n0.965954 0.621962 0.349399 O\n0.329048 0.467535 0.385879 O\n0.170952 0.967535 0.385879 O\n0.607776 0.373414 0.407182 O\n0.892225 0.873414 0.407182 O\n0.382096 0.241975 0.477397 O\n0.117904 0.741975 0.477397 O\n0.131692 0.373145 0.494611 O\n0.368308 0.873145 0.494611 O\n0.631692 0.126855 0.505390 O\n0.868308 0.626855 0.505390 O\n0.882096 0.258025 0.522603 O\n0.617905 0.758025 0.522603 O\n0.107776 0.126586 0.592818 O\n0.392225 0.626585 0.592818 O\n0.829049 0.032464 0.614121 O\n0.670952 0.532464 0.614121 O\n0.034047 0.378038 0.650602 O\n0.465954 0.878037 0.650602 O\n0.446657 0.400942 0.686392 O\n0.053343 0.900942 0.686392 O\n0.967398 0.157879 0.742740 O\n0.532603 0.657879 0.742740 O\n0.467397 0.157879 0.757260 O\n0.032603 0.657879 0.757260 O\n0.946657 0.400942 0.813608 O\n0.553343 0.900942 0.813608 O\n0.534047 0.378038 0.849398 O\n0.965954 0.878037 0.849398 O\n0.329048 0.032464 0.885879 O\n0.170952 0.532464 0.885879 O\n0.607776 0.126586 0.907182 O\n0.892225 0.626585 0.907182 O\n0.382096 0.258025 0.977397 O\n0.117904 0.758025 0.977397 O\n0.131692 0.126855 0.994611 O\n0.368308 0.626855 0.994611 O\n","nsites":96,"nelements":3,"elements":["B","Cd","O"],"chemical_system":"B-Cd-O","density":3.5653931183507384,"density_atomic":0.09626557842172044,"volume":997.2411901941005,"volume_molar":6.255757103144588,"formula_full":"Cd8 B32 O56","formula_reduced":"CdB4O7","formula_anonymous":"AB4C7","formation_energy":-2.48698028478344,"spacegroup":61},{"id":"oqmd-33796","created_at":"2022-09-04T15:52:21.397150Z","updated_at":"2022-09-04T15:52:21.397161Z","structure_string":"Mg12 B28 Cl4 O52\n1.0\n8.519684 0.000000 0.000000\n0.000000 8.520875 0.000000\n0.000000 0.000000 12.061337\nB Cl Mg O\n28 4 12 52\ndirect\n0.002244 0.003227 0.001170 B\n0.502244 0.996773 0.001170 B\n0.001639 0.497846 0.001754 B\n0.501639 0.502154 0.001754 B\n0.594205 0.250005 0.074247 B\n0.094205 0.749995 0.074247 B\n0.953715 0.250734 0.101606 B\n0.453715 0.749266 0.101606 B\n0.756215 0.252620 0.248968 B\n0.256215 0.747380 0.248968 B\n0.752478 0.096543 0.421023 B\n0.252478 0.903457 0.421023 B\n0.752582 0.403817 0.421501 B\n0.252582 0.596183 0.421501 B\n0.497756 0.003227 0.501170 B\n0.997756 0.996773 0.501170 B\n0.498361 0.497846 0.501754 B\n0.998361 0.502154 0.501754 B\n0.905795 0.250005 0.574247 B\n0.405795 0.749995 0.574247 B\n0.546285 0.250734 0.601606 B\n0.046285 0.749266 0.601606 B\n0.743785 0.252620 0.748968 B\n0.243785 0.747380 0.748968 B\n0.747522 0.096543 0.921023 B\n0.247522 0.903457 0.921023 B\n0.747418 0.403817 0.921501 B\n0.247418 0.596183 0.921501 B\n0.274368 0.249663 0.262701 Cl\n0.774368 0.750337 0.262701 Cl\n0.225632 0.249663 0.762701 Cl\n0.725632 0.750337 0.762701 Cl\n0.482760 0.030554 0.251528 Mg\n0.982760 0.969446 0.251528 Mg\n0.483260 0.468897 0.254087 Mg\n0.983260 0.531103 0.254087 Mg\n0.241776 0.248760 0.475257 Mg\n0.741776 0.751240 0.475257 Mg\n0.017240 0.030554 0.751528 Mg\n0.517240 0.969446 0.751528 Mg\n0.016740 0.468897 0.754087 Mg\n0.516740 0.531103 0.754087 Mg\n0.258224 0.248760 0.975257 Mg\n0.758224 0.751240 0.975257 Mg\n0.465801 0.336168 0.022186 O\n0.965801 0.663832 0.022186 O\n0.043303 0.171144 0.025074 O\n0.543303 0.828856 0.025074 O\n0.550109 0.089673 0.097119 O\n0.050109 0.910327 0.097119 O\n0.961543 0.411847 0.106558 O\n0.461543 0.588153 0.106558 O\n0.639993 0.326907 0.176519 O\n0.139993 0.673093 0.176519 O\n0.882893 0.168547 0.186396 O\n0.382893 0.831453 0.186396 O\n0.829610 0.374752 0.316036 O\n0.329610 0.625248 0.316036 O\n0.675359 0.134886 0.317258 O\n0.175359 0.865114 0.317258 O\n0.911372 0.040413 0.401105 O\n0.411372 0.959587 0.401105 O\n0.588035 0.442612 0.405260 O\n0.088035 0.557388 0.405260 O\n0.331393 0.471405 0.480477 O\n0.831393 0.528595 0.480477 O\n0.165149 0.021027 0.481910 O\n0.665149 0.978973 0.481910 O\n0.766314 0.249717 0.491059 O\n0.266314 0.750283 0.491059 O\n0.034199 0.336168 0.522186 O\n0.534199 0.663832 0.522186 O\n0.456697 0.171144 0.525074 O\n0.956697 0.828856 0.525074 O\n0.949891 0.089673 0.597119 O\n0.449891 0.910327 0.597119 O\n0.538457 0.411847 0.606558 O\n0.038457 0.588153 0.606558 O\n0.860007 0.326907 0.676519 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0.743746 0.443133 H\n0.046192 0.344603 0.444857 H\n0.512231 0.433376 0.451544 H\n0.657990 0.278597 0.456561 H\n0.342009 0.721402 0.543439 H\n0.487769 0.566623 0.548456 H\n0.953808 0.655397 0.555143 H\n0.704356 0.256253 0.556866 H\n0.351696 0.956449 0.578271 H\n0.953626 0.274461 0.593007 H\n0.676475 0.017718 0.663619 H\n0.679914 0.614800 0.664077 H\n0.252246 0.067510 0.687965 H\n0.292991 0.816491 0.702284 H\n0.701444 0.405457 0.707626 H\n0.957596 0.494596 0.734789 H\n0.505404 0.042404 0.765211 H\n0.594543 0.298556 0.792374 H\n0.183509 0.707009 0.797716 H\n0.932491 0.747754 0.812035 H\n0.385200 0.320086 0.835923 H\n0.982282 0.323525 0.836381 H\n0.725539 0.046374 0.906993 H\n0.043551 0.648304 0.921729 H\n0.743747 0.295644 0.943133 H\n0.344603 0.046193 0.944856 H\n0.433376 0.512230 0.951544 H\n0.278598 0.657991 0.956561 H\n0.000000 0.000000 0.000000 Mg\n0.057043 0.942958 0.250000 Mg\n0.000000 0.000000 0.500000 Mg\n0.942958 0.057042 0.750000 Mg\n0.872890 0.290228 0.047617 O\n0.229684 0.878522 0.067158 O\n0.424347 0.395196 0.069233 O\n0.058518 0.162184 0.085441 O\n0.527107 0.064492 0.121035 O\n0.175727 0.373121 0.136034 O\n0.543403 0.432047 0.167399 O\n0.915090 0.805562 0.179986 O\n0.327423 0.817074 0.210527 O\n0.974846 0.264905 0.219796 O\n0.735095 0.025153 0.280204 O\n0.182926 0.672577 0.289473 O\n0.194438 0.084910 0.320014 O\n0.567953 0.456597 0.332601 O\n0.626879 0.824272 0.363966 O\n0.935508 0.472893 0.378965 O\n0.837815 0.941481 0.414558 O\n0.604804 0.575653 0.430767 O\n0.121477 0.770315 0.432842 O\n0.709772 0.127110 0.452383 O\n0.290227 0.872890 0.547617 O\n0.878522 0.229684 0.567158 O\n0.395195 0.424347 0.569233 O\n0.162184 0.058518 0.585441 O\n0.064492 0.527107 0.621035 O\n0.373120 0.175727 0.636034 O\n0.432047 0.543403 0.667399 O\n0.805561 0.915090 0.679986 O\n0.817073 0.327423 0.710527 O\n0.264904 0.974846 0.719796 O\n0.025154 0.735096 0.780204 O\n0.672577 0.182927 0.789473 O\n0.084910 0.194439 0.820013 O\n0.456597 0.567953 0.832601 O\n0.824273 0.626880 0.863966 O\n0.472893 0.935508 0.878965 O\n0.941482 0.837816 0.914558 O\n0.575653 0.604805 0.930767 O\n0.770316 0.121478 0.932842 O\n0.127110 0.709773 0.952383 O\n0.413557 0.311763 0.123454 S\n0.688237 0.586443 0.376545 S\n0.311762 0.413557 0.623454 S\n0.586443 0.688238 0.876545 S\n","nsites":96,"nelements":4,"elements":["H","Mg","O","S"],"chemical_system":"H-Mg-O-S","density":1.7232413575163996,"density_atomic":0.1090183110653612,"volume":880.5860140545,"volume_molar":5.523971799920352,"formula_full":"Mg4 H48 S4 O40","formula_reduced":"MgH12SO10","formula_anonymous":"ABC10D12","formation_energy":-0.1663008911740693,"spacegroup":15},{"id":"oqmd-711495","created_at":"2022-09-04T15:19:30.745408Z","updated_at":"2022-09-04T15:19:30.745436Z","structure_string":"Na8 Ge28 O60\n1.0\n7.512284 0.000000 0.000000\n0.000000 17.225486 0.000000\n0.000000 0.000000 9.984940\nGe Na O\n28 8 60\ndirect\n0.712952 0.342691 0.027969 Ge\n0.787047 0.842691 0.027969 Ge\n0.283971 0.340727 0.031999 Ge\n0.216029 0.840727 0.031999 Ge\n0.213383 0.057648 0.249787 Ge\n0.286617 0.557649 0.249787 Ge\n0.000000 0.409957 0.250000 Ge\n0.500000 0.909956 0.250000 Ge\n0.786617 0.057648 0.250213 Ge\n0.713384 0.557649 0.250213 Ge\n0.716029 0.340727 0.468001 Ge\n0.783971 0.840727 0.468001 Ge\n0.287047 0.342691 0.472031 Ge\n0.212953 0.842691 0.472031 Ge\n0.787047 0.157309 0.527969 Ge\n0.712952 0.657309 0.527969 Ge\n0.216029 0.159273 0.531999 Ge\n0.283971 0.659273 0.531999 Ge\n0.286617 0.442352 0.749787 Ge\n0.213383 0.942351 0.749787 Ge\n0.500000 0.090043 0.750000 Ge\n0.000000 0.590044 0.750000 Ge\n0.713384 0.442352 0.750213 Ge\n0.786617 0.942351 0.750213 Ge\n0.783971 0.159273 0.968001 Ge\n0.716029 0.659273 0.968001 Ge\n0.212953 0.157309 0.972031 Ge\n0.287047 0.657309 0.972031 Ge\n0.500000 0.000000 0.000000 Na\n0.000000 0.500000 0.000000 Na\n0.000000 0.229334 0.250000 Na\n0.500000 0.729334 0.250000 Na\n0.500000 0.000000 0.500000 Na\n0.000000 0.500000 0.500000 Na\n0.500000 0.270666 0.750000 Na\n0.000000 0.770666 0.750000 Na\n0.793391 0.247840 0.060584 O\n0.706609 0.747840 0.060584 O\n0.715938 0.089221 0.089245 O\n0.784061 0.589221 0.089245 O\n0.498890 0.357406 0.093652 O\n0.001110 0.857406 0.093652 O\n0.850092 0.411654 0.097853 O\n0.649908 0.911654 0.097853 O\n0.201648 0.144853 0.150515 O\n0.298353 0.644853 0.150515 O\n0.139963 0.332151 0.166325 O\n0.360037 0.832151 0.166325 O\n0.148955 0.489381 0.178116 O\n0.351045 0.989382 0.178116 O\n0.000000 0.016584 0.250000 O\n0.500000 0.516584 0.250000 O\n0.851045 0.489381 0.321884 O\n0.648954 0.989382 0.321884 O\n0.860038 0.332151 0.333675 O\n0.639963 0.832151 0.333675 O\n0.798352 0.144853 0.349485 O\n0.701648 0.644853 0.349485 O\n0.149908 0.411654 0.402147 O\n0.350092 0.911654 0.402147 O\n0.501110 0.357406 0.406348 O\n0.998890 0.857406 0.406348 O\n0.284061 0.089221 0.410755 O\n0.215938 0.589221 0.410755 O\n0.206608 0.247840 0.439416 O\n0.293391 0.747840 0.439416 O\n0.706609 0.252160 0.560584 O\n0.793391 0.752161 0.560584 O\n0.784061 0.410779 0.589245 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