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{
"id": "oqmd-648344",
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"structure_string": "Al16 Te24\n1.0\n7.275374 0.000000 -0.000702\n0.000000 13.106476 0.000000\n-0.014847 0.000000 15.200916\nAl Te\n16 24\ndirect\n0.930757 0.406343 0.181581 Al\n0.431138 0.932300 0.188097 Al\n0.419842 0.249401 0.191981 Al\n0.920917 0.090167 0.197202 Al\n0.079083 0.590167 0.302798 Al\n0.580156 0.749401 0.308019 Al\n0.568860 0.432300 0.311904 Al\n0.069243 0.906343 0.318418 Al\n0.930756 0.093658 0.681582 Al\n0.431140 0.567700 0.688096 Al\n0.419844 0.250599 0.691981 Al\n0.920918 0.409833 0.697201 Al\n0.079083 0.909833 0.802799 Al\n0.580157 0.750599 0.808020 Al\n0.568861 0.067700 0.811904 Al\n0.069243 0.593658 0.818418 Al\n0.089354 0.242199 0.109890 Te\n0.592467 0.093402 0.112559 Te\n0.083707 0.576135 0.133794 Te\n0.575066 0.423340 0.134896 Te\n0.581768 0.762545 0.139157 Te\n0.075790 0.915571 0.141506 Te\n0.924209 0.415571 0.358495 Te\n0.418231 0.262545 0.360843 Te\n0.424934 0.923340 0.365104 Te\n0.916293 0.076135 0.366206 Te\n0.407533 0.593402 0.387440 Te\n0.910646 0.742199 0.390109 Te\n0.089354 0.257800 0.609890 Te\n0.592466 0.406598 0.612559 Te\n0.083706 0.923865 0.633795 Te\n0.575067 0.076659 0.634896 Te\n0.581768 0.737455 0.639157 Te\n0.075791 0.584429 0.641506 Te\n0.924209 0.084429 0.858494 Te\n0.418233 0.237455 0.860843 Te\n0.424933 0.576658 0.865104 Te\n0.916294 0.423865 0.866205 Te\n0.407533 0.906598 0.887441 Te\n0.910645 0.757800 0.890110 Te\n",
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{
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"updated_at": "2022-09-04T15:45:55.466283Z",
"structure_string": "Al16 S24\n1.0\n7.275374 0.000000 0.000000\n0.000000 13.106476 0.000000\n-0.016314 0.000000 15.200914\nAl S\n16 24\ndirect\n0.430757 0.093657 0.181582 Al\n0.931138 0.567700 0.188097 Al\n0.919842 0.250599 0.191981 Al\n0.420917 0.409833 0.197202 Al\n0.579083 0.909833 0.302798 Al\n0.080158 0.750599 0.308019 Al\n0.068862 0.067700 0.311903 Al\n0.569243 0.593657 0.318418 Al\n0.430757 0.406343 0.681582 Al\n0.931138 0.932300 0.688097 Al\n0.919842 0.249401 0.691981 Al\n0.420917 0.090167 0.697202 Al\n0.579083 0.590167 0.802798 Al\n0.080158 0.749401 0.808019 Al\n0.068862 0.432300 0.811903 Al\n0.569243 0.906343 0.818418 Al\n0.589354 0.257801 0.109890 S\n0.092467 0.406598 0.112560 S\n0.583707 0.923865 0.133795 S\n0.075066 0.076660 0.134896 S\n0.081768 0.737455 0.139157 S\n0.575790 0.584429 0.141506 S\n0.424210 0.084429 0.358494 S\n0.918232 0.237455 0.360843 S\n0.924934 0.576660 0.365104 S\n0.416293 0.423865 0.366205 S\n0.907533 0.906598 0.387440 S\n0.410646 0.757801 0.390110 S\n0.589354 0.242199 0.609890 S\n0.092467 0.093402 0.612560 S\n0.583707 0.576135 0.633795 S\n0.075066 0.423340 0.634896 S\n0.081768 0.762545 0.639157 S\n0.575790 0.915571 0.641506 S\n0.424210 0.415571 0.858494 S\n0.918232 0.262545 0.860843 S\n0.924934 0.923340 0.865104 S\n0.416293 0.076135 0.866205 S\n0.907533 0.593402 0.887440 S\n0.410646 0.742199 0.890110 S\n",
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{
"id": "oqmd-1338972",
"created_at": "2022-09-04T15:45:52.922695Z",
"updated_at": "2022-09-04T15:45:52.922722Z",
"structure_string": "Sn48 Os12\n1.0\n-7.126805 7.126805 7.126805\n7.126805 -7.126805 7.126805\n7.126805 7.126805 -7.126805\nOs Sn\n12 48\ndirect\n0.250000 0.375000 0.125000 Os\n0.375000 0.750000 0.125000 Os\n0.375000 0.125000 0.250000 Os\n0.875000 0.625000 0.250000 Os\n0.125000 0.250000 0.375000 Os\n0.750000 0.125000 0.375000 Os\n0.875000 0.750000 0.625000 Os\n0.250000 0.875000 0.625000 Os\n0.125000 0.375000 0.750000 Os\n0.625000 0.875000 0.750000 Os\n0.625000 0.250000 0.875000 Os\n0.750000 0.625000 0.875000 Os\n0.212178 0.119426 0.023605 Sn\n0.311427 0.904179 0.023605 Sn\n0.880574 0.404178 0.092751 Sn\n0.712177 0.688573 0.092752 Sn\n0.619426 0.407248 0.095821 Sn\n0.976396 0.688574 0.095822 Sn\n0.023605 0.212178 0.119426 Sn\n0.595822 0.907248 0.119426 Sn\n0.212178 0.592752 0.188573 Sn\n0.476396 0.595822 0.188573 Sn\n0.592752 0.188573 0.212178 Sn\n0.119426 0.023605 0.212178 Sn\n0.476396 0.380574 0.287823 Sn\n0.311426 0.907248 0.287823 Sn\n0.907248 0.287823 0.311426 Sn\n0.904179 0.023605 0.311427 Sn\n0.287823 0.476396 0.380574 Sn\n0.592752 0.904179 0.380574 Sn\n0.092751 0.880574 0.404178 Sn\n0.811427 0.523604 0.404179 Sn\n0.095821 0.619426 0.407248 Sn\n0.811427 0.787823 0.407248 Sn\n0.380574 0.287823 0.476396 Sn\n0.595822 0.188573 0.476396 Sn\n0.619426 0.712177 0.523604 Sn\n0.404179 0.811427 0.523604 Sn\n0.188573 0.212178 0.592752 Sn\n0.904179 0.380574 0.592752 Sn\n0.907248 0.119426 0.595822 Sn\n0.188573 0.476396 0.595822 Sn\n0.407248 0.095821 0.619426 Sn\n0.712177 0.523604 0.619426 Sn\n0.092752 0.712177 0.688573 Sn\n0.095822 0.976396 0.688574 Sn\n0.688573 0.092752 0.712177 Sn\n0.523604 0.619426 0.712177 Sn\n0.407248 0.811427 0.787823 Sn\n0.880575 0.976396 0.787823 Sn\n0.523604 0.404179 0.811427 Sn\n0.787823 0.407248 0.811427 Sn\n0.404178 0.092751 0.880574 Sn\n0.976396 0.787823 0.880575 Sn\n0.380574 0.592752 0.904179 Sn\n0.023605 0.311427 0.904179 Sn\n0.287823 0.311426 0.907248 Sn\n0.119426 0.595822 0.907248 Sn\n0.688574 0.095822 0.976396 Sn\n0.787823 0.880575 0.976396 Sn\n",
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{
"id": "oqmd-47897",
"created_at": "2022-09-04T15:51:35.137595Z",
"updated_at": "2022-09-04T15:51:35.137625Z",
"structure_string": "B32 Cl32\n1.0\n7.973187 0.000000 0.000000\n0.000000 13.074584 0.000000\n0.000000 0.000000 13.886120\nB Cl\n32 32\ndirect\n0.507777 0.004884 0.041001 B\n0.754242 0.004674 0.050914 B\n0.623266 0.894428 0.066242 B\n0.632887 0.115427 0.067202 B\n0.479791 0.934468 0.148237 B\n0.757375 0.075024 0.158730 B\n0.538732 0.064871 0.170756 B\n0.694002 0.944370 0.176007 B\n0.305998 0.444371 0.323993 B\n0.461268 0.564871 0.329244 B\n0.242626 0.575024 0.341270 B\n0.520210 0.434468 0.351763 B\n0.367113 0.615427 0.432798 B\n0.376734 0.394428 0.433758 B\n0.245759 0.504674 0.449086 B\n0.492223 0.504883 0.458999 B\n0.992223 0.995116 0.541001 B\n0.745758 0.995326 0.550914 B\n0.876733 0.105572 0.566242 B\n0.867112 0.884573 0.567202 B\n0.020209 0.065532 0.648236 B\n0.742625 0.924976 0.658730 B\n0.961268 0.935129 0.670756 B\n0.805998 0.055629 0.676007 B\n0.194003 0.555629 0.823993 B\n0.038732 0.435129 0.829244 B\n0.257375 0.424976 0.841270 B\n0.979790 0.565532 0.851763 B\n0.132888 0.384573 0.932798 B\n0.123267 0.605572 0.933758 B\n0.254242 0.495326 0.949086 B\n0.007777 0.495116 0.958999 B\n0.641817 0.776950 0.010511 Cl\n0.624277 0.233747 0.012358 Cl\n0.420947 0.517223 0.029488 Cl\n0.865106 0.475567 0.054019 Cl\n0.312323 0.870067 0.198543 Cl\n0.913158 0.139207 0.220554 Cl\n0.188317 0.382053 0.234303 Cl\n0.597323 0.626551 0.248115 Cl\n0.402676 0.126551 0.251885 Cl\n0.811683 0.882053 0.265697 Cl\n0.086842 0.639207 0.279446 Cl\n0.687677 0.370067 0.301457 Cl\n0.134895 0.975567 0.445981 Cl\n0.579053 0.017223 0.470512 Cl\n0.375723 0.733747 0.487642 Cl\n0.358183 0.276950 0.489489 Cl\n0.858183 0.223050 0.510511 Cl\n0.875723 0.766252 0.512358 Cl\n0.079054 0.482777 0.529488 Cl\n0.634894 0.524433 0.554019 Cl\n0.187677 0.129933 0.698543 Cl\n0.586842 0.860792 0.720554 Cl\n0.311683 0.617946 0.734303 Cl\n0.902677 0.373449 0.748115 Cl\n0.097324 0.873449 0.751885 Cl\n0.688317 0.117946 0.765697 Cl\n0.413158 0.360792 0.779446 Cl\n0.812323 0.629933 0.801457 Cl\n0.365105 0.024433 0.945981 Cl\n0.920947 0.982777 0.970512 Cl\n0.124278 0.266252 0.987642 Cl\n0.141818 0.723049 0.989489 Cl\n",
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{
"id": "oqmd-1322058",
"created_at": "2022-09-04T15:45:05.215534Z",
"updated_at": "2022-09-04T15:45:05.215562Z",
"structure_string": "Ca8 Sn16 S32\n1.0\n0.000000 10.563945 7.310755\n9.368633 0.000000 7.310755\n9.368633 10.563945 0.000000\nCa S Sn\n8 32 16\ndirect\n0.279669 0.279670 0.220331 Ca\n0.763976 0.262769 0.247718 Ca\n0.002281 0.524463 0.486025 Ca\n0.511330 0.511329 0.488670 Ca\n0.262769 0.763976 0.725537 Ca\n0.761330 0.761330 0.738670 Ca\n0.029670 0.029669 0.970331 Ca\n0.524463 0.002282 0.987231 Ca\n0.187613 0.483953 0.049989 S\n0.200011 0.971556 0.062387 S\n0.700640 0.480121 0.065628 S\n0.695274 0.985559 0.065803 S\n0.823498 0.015685 0.231058 S\n0.320241 0.018942 0.234315 S\n0.285244 0.513129 0.243842 S\n0.985559 0.695274 0.253364 S\n0.789170 0.490013 0.262149 S\n0.494067 0.690082 0.264210 S\n0.996637 0.184197 0.264440 S\n0.483954 0.187613 0.278444 S\n0.018942 0.320240 0.426502 S\n0.490012 0.789170 0.458668 S\n0.507306 0.295320 0.459073 S\n0.987850 0.791332 0.460831 S\n0.184372 0.496389 0.549360 S\n0.690081 0.494067 0.551641 S\n0.184197 0.996637 0.554726 S\n0.698358 0.985790 0.559919 S\n0.292215 0.006159 0.736871 S\n0.295319 0.507306 0.738301 S\n0.790926 0.511699 0.742694 S\n0.480121 0.700639 0.753611 S\n0.985789 0.698358 0.755933 S\n0.791331 0.987850 0.759988 S\n0.971556 0.200012 0.766046 S\n0.496389 0.184373 0.769879 S\n0.015685 0.823498 0.929759 S\n0.511699 0.790926 0.954681 S\n0.513129 0.285244 0.957785 S\n0.006158 0.292216 0.964755 S\n0.256656 0.723656 0.045144 Sn\n0.774635 0.690553 0.059118 Sn\n0.490522 0.595509 0.151363 Sn\n0.986019 0.494846 0.249545 Sn\n0.000455 0.980409 0.263981 Sn\n0.494845 0.986019 0.269591 Sn\n0.190883 0.774306 0.475365 Sn\n0.690553 0.774635 0.475694 Sn\n0.275457 0.204856 0.526343 Sn\n0.774306 0.190883 0.559446 Sn\n0.487394 0.098637 0.654491 Sn\n0.980409 0.000455 0.755154 Sn\n0.098637 0.487394 0.759478 Sn\n0.595509 0.490523 0.762606 Sn\n0.723656 0.256655 0.974543 Sn\n0.204856 0.275457 0.993344 Sn\n",
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"formula_full": "Ca8 Sn16 S32",
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{
"id": "oqmd-56283",
"created_at": "2022-09-04T15:21:07.064773Z",
"updated_at": "2022-09-04T15:21:07.064791Z",
"structure_string": "Ba14 Ga8 Sb18\n1.0\n18.308993 0.000000 0.000000\n0.000000 10.970224 0.000000\n0.000000 0.000000 7.201480\nBa Ga Sb\n14 8 18\ndirect\n0.036929 0.250000 0.040782 Ba\n0.463071 0.250000 0.040782 Ba\n0.750000 0.250000 0.077080 Ba\n0.625460 0.520933 0.457357 Ba\n0.874540 0.520933 0.457357 Ba\n0.625460 0.979067 0.457357 Ba\n0.874540 0.979067 0.457357 Ba\n0.125460 0.020933 0.542643 Ba\n0.374541 0.020933 0.542643 Ba\n0.125460 0.479067 0.542643 Ba\n0.374541 0.479067 0.542643 Ba\n0.250000 0.750000 0.922920 Ba\n0.536929 0.750000 0.959218 Ba\n0.963071 0.750000 0.959218 Ba\n0.250000 0.068809 0.057870 Ga\n0.250000 0.431192 0.057870 Ga\n0.122267 0.750000 0.258509 Ga\n0.377733 0.750000 0.258509 Ga\n0.622267 0.250000 0.741491 Ga\n0.877733 0.250000 0.741491 Ga\n0.750000 0.568809 0.942130 Ga\n0.750000 0.931192 0.942130 Ga\n0.117396 0.539993 0.045374 Sb\n0.382604 0.539993 0.045374 Sb\n0.117396 0.960008 0.045374 Sb\n0.382604 0.960008 0.045374 Sb\n0.750000 0.750000 0.211062 Sb\n0.250000 0.250000 0.330232 Sb\n0.250000 0.750000 0.455569 Sb\n0.006935 0.750000 0.480094 Sb\n0.493065 0.750000 0.480094 Sb\n0.506935 0.250000 0.519906 Sb\n0.993064 0.250000 0.519906 Sb\n0.750000 0.250000 0.544431 Sb\n0.750000 0.750000 0.669768 Sb\n0.250000 0.250000 0.788938 Sb\n0.617397 0.039993 0.954626 Sb\n0.882603 0.039993 0.954626 Sb\n0.617397 0.460008 0.954626 Sb\n0.882603 0.460008 0.954626 Sb\n",
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{
"id": "oqmd-1349012",
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"structure_string": "Ba8 Al16 S32\n1.0\n0.000000 10.588225 11.089389\n6.158279 0.000000 11.089389\n6.158279 10.588225 0.000000\nAl Ba S\n16 8 32\ndirect\n0.260822 0.989716 0.018757 Al\n0.761353 0.488872 0.092174 Al\n0.488647 0.761128 0.157826 Al\n0.989178 0.260284 0.231243 Al\n0.519296 0.231243 0.260284 Al\n0.018757 0.730704 0.260822 Al\n0.157826 0.592398 0.488647 Al\n0.657602 0.092174 0.488872 Al\n0.260284 0.989178 0.519296 Al\n0.761128 0.488647 0.592398 Al\n0.488872 0.761353 0.657602 Al\n0.989716 0.260822 0.730704 Al\n0.592398 0.157826 0.761128 Al\n0.092174 0.657602 0.761353 Al\n0.231243 0.519296 0.989178 Al\n0.730704 0.018757 0.989716 Al\n0.000000 0.000000 0.000000 Ba\n0.250000 0.250000 0.250000 Ba\n0.749116 0.749116 0.250884 Ba\n0.500000 0.500000 0.500000 Ba\n0.999116 0.999116 0.500884 Ba\n0.250884 0.250884 0.749116 Ba\n0.750000 0.750000 0.750000 Ba\n0.500884 0.500884 0.999116 Ba\n0.702252 0.201659 0.047129 S\n0.701553 0.702667 0.048234 S\n0.201041 0.202871 0.048341 S\n0.201659 0.702252 0.048959 S\n0.048341 0.547748 0.201041 S\n0.048959 0.047129 0.201659 S\n0.548447 0.547333 0.201766 S\n0.547748 0.048341 0.202871 S\n0.792152 0.457011 0.261964 S\n0.319840 0.431148 0.290555 S\n0.818852 0.930160 0.291543 S\n0.290555 0.958457 0.319840 S\n0.958457 0.290555 0.431148 S\n0.488873 0.261964 0.457011 S\n0.988036 0.761127 0.457848 S\n0.457011 0.792152 0.488873 S\n0.702455 0.201766 0.547333 S\n0.702667 0.701553 0.547545 S\n0.202871 0.201041 0.547748 S\n0.201766 0.702455 0.548447 S\n0.048234 0.547545 0.701553 S\n0.047129 0.048959 0.702252 S\n0.547333 0.548447 0.702455 S\n0.547545 0.048234 0.702667 S\n0.792989 0.457848 0.761127 S\n0.261964 0.488873 0.792152 S\n0.761127 0.988036 0.792989 S\n0.291543 0.959445 0.818852 S\n0.959445 0.291543 0.930160 S\n0.431148 0.319840 0.958457 S\n0.930160 0.818852 0.959445 S\n0.457848 0.792989 0.988036 S\n",
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