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{
"id": "jvasp-98788",
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"structure_string": "K8 Te8 O8 F24\n1.0\n7.829626 0.000000 -0.000000\n-0.000000 10.064445 -0.000000\n-0.000000 0.000000 10.064445\nK Te O F\n8 8 8 24\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.250000 0.750000 0.750000 K\n0.750000 0.250000 0.250000 K\n0.500000 0.500000 0.000000 K\n0.500000 -0.000000 0.500000 K\n0.000000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 K\n0.537335 0.620558 0.404131 Te\n0.462665 0.379442 0.595870 Te\n0.962666 0.404131 0.879443 Te\n0.037335 0.595870 0.120558 Te\n0.037335 0.904131 0.379442 Te\n0.537335 0.879443 0.095869 Te\n0.462665 0.120558 0.904131 Te\n0.962666 0.095869 0.620558 Te\n0.345901 0.493736 0.468960 O\n0.845901 0.531040 0.993736 O\n0.154100 0.468960 0.006264 O\n0.654100 0.993736 0.968960 O\n0.654100 0.506265 0.531040 O\n0.154100 0.031040 0.493736 O\n0.845901 0.968960 0.506265 O\n0.345901 0.006264 0.031040 O\n0.610512 0.490492 0.259610 F\n0.110512 0.740391 0.990492 F\n0.110512 0.759610 0.509508 F\n0.507709 0.752304 0.930911 F\n0.216609 0.305199 0.609877 F\n0.716609 0.109877 0.694801 F\n0.889488 0.240391 0.490492 F\n0.783392 0.805199 0.109877 F\n0.783392 0.694801 0.390123 F\n0.716609 0.390123 0.805199 F\n0.216609 0.194801 0.890124 F\n0.007709 0.069089 0.252304 F\n0.283391 0.890124 0.305199 F\n0.992291 0.569089 0.752304 F\n0.507709 0.747697 0.569089 F\n0.389488 0.509508 0.740391 F\n0.889488 0.259610 0.009508 F\n0.492291 0.252304 0.430911 F\n0.610512 0.009508 0.240391 F\n0.007709 0.430911 0.247696 F\n0.389488 0.990492 0.759610 F\n0.492291 0.247696 0.069089 F\n0.283391 0.609877 0.194801 F\n0.992291 0.930911 0.747697 F\n",
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{
"id": "jvasp-21766",
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"updated_at": "2022-09-04T14:37:51.318249Z",
"structure_string": "Sn4 Te12 O32\n1.0\n9.125615 -0.000000 -3.226392\n-4.562807 7.903014 -3.226392\n-0.000000 -0.000000 9.679176\nSn Te O\n4 12 32\ndirect\n0.499999 0.500000 -0.000000 Sn\n0.000000 0.000000 0.000000 Sn\n-0.000000 0.500000 0.500000 Sn\n0.500000 0.000000 0.500000 Sn\n0.962951 0.712951 0.250000 Te\n0.749999 0.537048 0.787049 Te\n0.750000 0.037049 0.287049 Te\n0.249999 0.962951 0.712952 Te\n0.462951 0.212951 0.250000 Te\n0.287048 0.750000 0.037048 Te\n0.037048 0.287048 0.750000 Te\n0.250000 0.462951 0.212951 Te\n0.712951 0.250000 0.962952 Te\n0.537048 0.787048 0.750000 Te\n0.212951 0.250000 0.462952 Te\n0.787048 0.750000 0.537049 Te\n0.823147 0.564270 0.529165 O\n0.464893 0.706016 0.029164 O\n0.793983 0.258877 0.323148 O\n0.035106 0.064271 0.241123 O\n0.470835 0.176852 0.435729 O\n0.970835 0.535106 0.293984 O\n0.741122 0.676852 0.206016 O\n0.758876 0.964893 0.935730 O\n0.836589 0.500000 -0.000000 O\n0.676851 0.206016 0.741123 O\n0.500000 0.000000 0.836590 O\n-0.000000 0.836589 0.500000 O\n0.663410 0.663410 0.663411 O\n0.163410 0.500000 -0.000000 O\n0.500000 0.000000 0.163411 O\n-0.000000 0.163411 0.500000 O\n0.336589 0.336589 0.336589 O\n0.029164 0.464894 0.706017 O\n0.258877 0.323148 0.793984 O\n0.293983 0.970835 0.535106 O\n0.241122 0.035106 0.064271 O\n0.435729 0.470835 0.176852 O\n0.706016 0.029165 0.464894 O\n0.323147 0.793983 0.258877 O\n0.064270 0.241122 0.035106 O\n0.529164 0.823148 0.564271 O\n0.964893 0.935729 0.758878 O\n0.206016 0.741122 0.676852 O\n0.535106 0.293983 0.970836 O\n0.935728 0.758877 0.964894 O\n0.176852 0.435729 0.470836 O\n0.564270 0.529164 0.823148 O\n",
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{
"id": "jvasp-97804",
"created_at": "2022-09-04T14:38:08.186446Z",
"updated_at": "2022-09-04T14:38:08.186473Z",
"structure_string": "Ti12 Mn12 Si24\n1.0\n7.695616 0.000000 0.000000\n0.000000 8.684696 -0.000000\n0.000000 0.000000 9.495653\nTi Mn Si\n12 12 24\ndirect\n0.239634 0.828146 0.453141 Ti\n0.239634 0.171855 0.546859 Ti\n0.760366 0.328146 0.046859 Ti\n0.760366 0.671855 0.953140 Ti\n0.760366 0.171855 0.546859 Ti\n0.760366 0.828146 0.453141 Ti\n0.239634 0.671855 0.953140 Ti\n0.239634 0.328146 0.046859 Ti\n0.000000 0.331107 0.320638 Ti\n0.000000 0.668893 0.679362 Ti\n0.000000 0.831107 0.179362 Ti\n0.000000 0.168893 0.820638 Ti\n0.243692 0.500000 0.500000 Mn\n0.248167 0.584415 0.246861 Mn\n0.248167 0.415586 0.753139 Mn\n0.751833 0.084415 0.253139 Mn\n0.751833 0.915586 0.746861 Mn\n0.751833 0.415586 0.753139 Mn\n0.751833 0.584415 0.246861 Mn\n0.248167 0.915586 0.746861 Mn\n0.243692 0.000000 0.000000 Mn\n0.756309 0.500000 0.500000 Mn\n0.248167 0.084415 0.253139 Mn\n0.756309 0.000000 0.000000 Mn\n0.500000 0.037001 0.377065 Si\n0.654969 0.331777 0.317725 Si\n0.000000 0.462269 0.879224 Si\n0.000000 0.537731 0.120776 Si\n0.000000 0.962270 0.620776 Si\n0.000000 0.037731 0.379224 Si\n0.000000 0.370433 0.602715 Si\n0.000000 0.629567 0.397285 Si\n0.000000 0.870434 0.897285 Si\n0.500000 0.374357 0.595715 Si\n0.500000 0.625644 0.404285 Si\n0.345031 0.168223 0.817724 Si\n0.500000 0.874357 0.904285 Si\n0.500000 0.462999 0.877065 Si\n0.500000 0.537001 0.122935 Si\n0.500000 0.962999 0.622935 Si\n0.000000 0.129567 0.102715 Si\n0.345031 0.331777 0.317725 Si\n0.654969 0.831778 0.182275 Si\n0.345031 0.831778 0.182275 Si\n0.654969 0.168223 0.817724 Si\n0.654969 0.668223 0.682275 Si\n0.500000 0.125643 0.095715 Si\n0.345031 0.668223 0.682275 Si\n",
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{
"id": "jvasp-102005",
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"structure_string": "H24 C16 O8\n1.0\n5.073944 -0.057272 0.587773\n0.834787 5.786277 0.908845\n0.263129 -0.055492 13.061668\nH C O\n24 16 8\ndirect\n0.920553 0.268231 0.902384 H\n0.909297 0.825909 0.523368 H\n0.639755 0.613125 0.940226 H\n0.360245 0.386877 0.059774 H\n0.721930 0.969618 0.359938 H\n0.278070 0.030383 0.640062 H\n0.501620 0.541245 0.315357 H\n0.498380 0.458756 0.684643 H\n0.715585 0.544024 0.410291 H\n0.284415 0.455977 0.589709 H\n0.353356 0.928459 0.198962 H\n0.646644 0.071542 0.801039 H\n0.090703 0.174092 0.476633 H\n0.563818 0.810833 0.769075 H\n0.436182 0.189168 0.230925 H\n0.268630 0.923201 0.927567 H\n0.731370 0.076801 0.072433 H\n0.083453 0.928461 0.822397 H\n0.079447 0.731770 0.097616 H\n0.918923 0.355146 0.719141 H\n0.081077 0.644855 0.280859 H\n0.038305 0.592416 0.755436 H\n-0.038304 0.407585 0.244565 H\n0.916547 0.071541 0.177603 H\n0.320112 0.928234 0.411020 C\n0.679888 0.071767 0.588980 C\n0.566557 0.883316 0.335684 C\n0.433443 0.116685 0.664316 C\n0.664446 0.626881 0.332879 C\n0.335554 0.373120 0.667121 C\n0.510189 0.006760 0.226385 C\n0.489810 0.993241 0.773615 C\n0.090708 0.407338 0.748208 C\n0.764982 -0.013539 0.150707 C\n0.235017 0.013539 0.849293 C\n0.881289 0.731671 0.143132 C\n0.118711 0.268330 0.856869 C\n0.711242 0.633230 0.079953 C\n0.288757 0.366772 0.920047 C\n0.909292 0.592663 0.251792 C\n0.825319 0.221618 0.550635 O\n0.467760 0.485144 0.880388 O\n0.532240 0.514857 0.119612 O\n0.239475 0.309956 0.022523 O\n0.760524 0.690046 0.977477 O\n0.733068 0.854129 0.571021 O\n0.266932 0.145872 0.428979 O\n0.174680 0.778383 0.449365 O\n",
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{
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"created_at": "2022-09-04T14:38:18.502148Z",
"updated_at": "2022-09-04T14:38:18.502182Z",
"structure_string": "K4 Ce2 Si12 O30\n1.0\n7.844850 -0.000000 3.863570\n3.540670 8.779754 2.706929\n-0.001175 0.009866 9.898526\nK Ce Si O\n4 2 12 30\ndirect\n0.900384 0.345497 0.501363 K\n0.747243 0.154504 0.998638 K\n0.099617 0.654503 0.498638 K\n0.252757 0.845496 0.001363 K\n0.162694 0.250000 0.750000 Ce\n0.837306 0.750000 0.250000 Ce\n0.094272 0.188880 0.143314 Si\n0.743359 0.569831 0.879310 Si\n0.373042 0.920535 0.270672 Si\n0.573534 0.688880 0.643314 Si\n0.626959 0.079465 0.729328 Si\n0.905728 0.811120 0.856686 Si\n0.426466 0.311120 0.356686 Si\n0.435751 0.420536 0.770672 Si\n0.564249 0.579464 0.229328 Si\n0.807499 0.069831 0.379310 Si\n0.256641 0.430169 0.120690 Si\n0.192500 0.930169 0.620690 Si\n0.532125 0.538360 0.650619 O\n0.869710 0.659447 0.865391 O\n0.237409 0.316741 0.497283 O\n0.569699 0.920406 0.240421 O\n0.130583 0.582059 0.208246 O\n0.051433 0.183259 0.002717 O\n0.948568 0.816741 0.997283 O\n0.920888 0.917941 0.291754 O\n0.919426 0.187415 0.304318 O\n0.730526 0.579594 0.259580 O\n0.762591 0.683259 0.502717 O\n0.779030 0.035119 0.559082 O\n0.079112 0.082059 0.708246 O\n0.220970 0.964881 0.440919 O\n0.588842 0.687415 0.804318 O\n0.080574 0.812585 0.695683 O\n0.411159 0.312585 0.195683 O\n0.430301 0.079594 0.759580 O\n0.394547 0.840553 0.634610 O\n0.269475 0.420406 0.740421 O\n0.605453 0.159447 0.365391 O\n0.394082 0.750000 0.250000 O\n0.130291 0.340553 0.134609 O\n0.467876 0.461640 0.349382 O\n0.605918 0.250000 0.750000 O\n0.721104 0.961640 0.849382 O\n0.278896 0.038360 0.150618 O\n0.626771 0.535118 0.059082 O\n0.869417 0.417941 0.791754 O\n0.373229 0.464882 0.940919 O\n",
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{
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"structure_string": "Nb12 Cu4 O32\n1.0\n5.117052 0.000000 0.000000\n0.000000 7.446139 -1.510324\n0.000000 -0.002446 15.045349\nNb Cu O\n12 4 32\ndirect\n0.740617 0.842266 0.832054 Nb\n0.751896 0.851996 0.335820 Nb\n0.251897 0.648004 0.164180 Nb\n0.248103 0.148003 0.664180 Nb\n0.748103 0.351996 0.835820 Nb\n0.247829 0.677622 0.424192 Nb\n0.240618 0.657733 0.667947 Nb\n0.752171 0.322378 0.575808 Nb\n0.252171 0.177621 0.924192 Nb\n0.759382 0.342266 0.332054 Nb\n0.259382 0.157734 0.167946 Nb\n0.747829 0.822378 0.075808 Nb\n0.754816 0.337712 0.080745 Cu\n0.745184 0.837711 0.580745 Cu\n0.245184 0.662288 0.919256 Cu\n0.254816 0.162288 0.419255 Cu\n0.421809 0.198597 0.785110 O\n0.100959 0.187479 0.039114 O\n0.399041 0.687479 0.539114 O\n0.899040 0.812521 0.960887 O\n0.078191 0.698597 0.285110 O\n0.578191 0.801403 0.214890 O\n0.921809 0.301402 0.714890 O\n0.600959 0.312521 0.460886 O\n0.575486 0.569817 0.344756 O\n0.103089 0.918827 0.655429 O\n0.075487 0.930182 0.155244 O\n0.424513 0.430182 0.655244 O\n0.924513 0.069817 0.844756 O\n0.072421 0.439980 0.400006 O\n0.572421 0.060019 0.099994 O\n0.927579 0.560019 0.599995 O\n0.427579 0.939980 0.900006 O\n0.921576 0.806536 0.454409 O\n0.421576 0.693464 0.045591 O\n0.396911 0.418827 0.155429 O\n0.078424 0.193464 0.545591 O\n0.425577 0.908203 0.401857 O\n0.925577 0.591796 0.098143 O\n0.574423 0.091796 0.598143 O\n0.074423 0.408203 0.901857 O\n0.575450 0.803103 0.716430 O\n0.075450 0.696897 0.783571 O\n0.424549 0.196897 0.283571 O\n0.924549 0.303103 0.216430 O\n0.603089 0.581173 0.844571 O\n0.578424 0.306536 0.954409 O\n0.896911 0.081173 0.344571 O\n",
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{
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"structure_string": "K4 H12 Se8 O24\n1.0\n15.955277 0.000000 0.000000\n0.000000 6.144284 -0.000000\n0.000000 0.000000 6.295120\nK H Se O\n4 12 8 24\ndirect\n0.500000 0.819218 0.750000 K\n0.000000 0.680781 0.250000 K\n0.500000 0.180782 0.250000 K\n0.000000 0.319218 0.750000 K\n0.500000 0.383949 0.750000 H\n0.000000 0.116051 0.250000 H\n0.500000 0.616050 0.250000 H\n0.000000 0.883949 0.750000 H\n0.175692 0.436070 0.464308 H\n0.324308 0.063930 0.964308 H\n0.675692 0.063930 0.535692 H\n0.824308 0.436070 0.035692 H\n0.824308 0.563930 0.535692 H\n0.675692 0.936069 0.035692 H\n0.324308 0.936069 0.464308 H\n0.175692 0.563930 0.964308 H\n0.347972 0.320674 0.699152 Se\n0.652028 0.320674 0.800848 Se\n0.847972 0.179326 0.300848 Se\n0.152028 0.179326 0.199152 Se\n0.652028 0.679326 0.300848 Se\n0.347972 0.679326 0.199152 Se\n0.152028 0.820673 0.699152 Se\n0.847972 0.820673 0.800848 Se\n0.712360 0.186009 0.597293 O\n0.787640 0.313990 0.097293 O\n0.787640 0.686009 0.597293 O\n0.712360 0.813990 0.097293 O\n0.287640 0.813990 0.402707 O\n0.212360 0.686009 0.902707 O\n0.064652 0.105494 0.354540 O\n0.435348 0.394505 0.854540 O\n0.564652 0.394505 0.645460 O\n0.935348 0.105494 0.145460 O\n0.935348 0.894505 0.645460 O\n0.435348 0.605494 0.354540 O\n0.064652 0.894505 0.854540 O\n0.111888 0.392989 0.062870 O\n0.388112 0.107011 0.562870 O\n0.611888 0.107011 0.937130 O\n0.888112 0.392989 0.437130 O\n0.888112 0.607011 0.937130 O\n0.611888 0.892989 0.437130 O\n0.388112 0.892989 0.062870 O\n0.111888 0.607011 0.562870 O\n0.287640 0.186009 0.902707 O\n0.564652 0.605494 0.145460 O\n0.212360 0.313990 0.402707 O\n",
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{
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