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{
"id": "jvasp-98090",
"created_at": "2022-09-04T14:35:45.029467Z",
"updated_at": "2022-09-04T14:35:45.029491Z",
"structure_string": "K8 Mn4 P8 O28\n1.0\n5.510790 0.000000 0.000000\n0.000000 9.296747 -2.355718\n0.000000 0.016487 12.576410\nK Mn P O\n8 4 8 28\ndirect\n0.739058 0.371039 0.854266 K\n0.760942 0.871039 0.354266 K\n0.279196 0.358335 0.320522 K\n0.260942 0.628961 0.145734 K\n0.720804 0.641665 0.679478 K\n0.239058 0.128961 0.645734 K\n0.220804 0.858336 0.820522 K\n0.779196 0.141665 0.179478 K\n0.759990 0.747942 0.981749 Mn\n0.259990 0.752059 0.518251 Mn\n0.740010 0.247941 0.481749 Mn\n0.240010 0.252059 0.018251 Mn\n0.254478 0.033776 0.362843 P\n0.282324 0.943629 0.119522 P\n0.717676 0.056372 0.880477 P\n0.217676 0.443629 0.619523 P\n0.782324 0.556372 0.380477 P\n0.754478 0.466224 0.137157 P\n0.745522 0.966225 0.637157 P\n0.245522 0.533776 0.862843 P\n0.694459 0.575666 0.258593 O\n0.194459 0.924335 0.241407 O\n0.736209 0.070575 0.563136 O\n0.462424 0.635826 0.883036 O\n0.236209 0.429426 0.936864 O\n0.263791 0.929426 0.436864 O\n0.305541 0.424335 0.741407 O\n0.401644 0.351207 0.543347 O\n0.540351 0.880897 0.107304 O\n0.598356 0.648794 0.456652 O\n0.459648 0.119104 0.892696 O\n0.003229 0.607334 0.852865 O\n0.772288 0.395469 0.374192 O\n0.959648 0.380897 0.607304 O\n0.227712 0.604531 0.625808 O\n0.098356 0.851207 0.043347 O\n0.805541 0.075666 0.758593 O\n-0.003229 0.392667 0.147135 O\n0.727712 0.895470 0.874192 O\n0.763791 0.570575 0.063136 O\n0.272288 0.104531 0.125808 O\n0.040351 0.619104 0.392696 O\n0.537576 0.364174 0.116964 O\n0.037576 0.135826 0.383036 O\n0.503229 0.892667 0.647135 O\n0.962424 0.864175 0.616964 O\n0.496771 0.107333 0.352865 O\n0.901644 0.148794 0.956653 O\n",
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{
"id": "jvasp-91407",
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"structure_string": "Rb8 Sn8 S32\n1.0\n9.397287 0.000000 -2.878212\n0.000000 10.138545 0.000000\n-0.117193 0.000000 14.308868\nRb Sn S\n8 8 32\ndirect\n0.532076 0.225278 0.912535 Rb\n0.967925 0.725278 0.587465 Rb\n0.467925 0.774721 0.087465 Rb\n0.032075 0.274722 0.412535 Rb\n0.851034 0.132946 0.704769 Rb\n0.648967 0.632946 0.795231 Rb\n0.148966 0.867053 0.295231 Rb\n0.351034 0.367054 0.204769 Rb\n0.025679 0.173810 0.015007 Sn\n0.406695 -0.000004 0.596938 Sn\n0.906695 0.500003 0.096938 Sn\n0.593305 0.000004 0.403063 Sn\n0.525679 0.326189 0.515007 Sn\n0.974322 0.826189 0.984993 Sn\n0.474321 0.673810 0.484993 Sn\n0.093305 0.499996 0.903063 Sn\n0.490131 0.769013 0.332487 S\n0.990131 0.730986 0.832487 S\n0.509870 0.230987 0.667514 S\n0.687360 0.142712 0.190214 S\n0.812640 0.642711 0.309786 S\n0.312640 0.857288 0.809786 S\n0.306082 0.657220 0.769596 S\n0.693918 0.342780 0.230405 S\n0.806082 0.842779 0.269596 S\n0.193918 0.157220 0.730405 S\n0.646341 0.446246 0.100978 S\n0.853660 0.946245 0.399023 S\n0.009869 0.269013 0.167514 S\n0.187360 0.357288 0.690214 S\n0.007836 0.432851 0.715600 S\n0.329482 0.462878 0.419068 S\n0.992164 0.567149 0.284401 S\n0.507836 0.067149 0.215600 S\n0.140563 0.602483 0.076683 S\n0.359437 0.102483 0.423317 S\n0.859437 0.397516 0.923317 S\n0.640564 0.897516 0.576683 S\n0.353660 0.553754 0.899023 S\n0.170518 0.962878 0.080933 S\n0.670518 0.537121 0.580933 S\n0.829483 0.037121 0.919068 S\n0.714346 0.225868 0.460664 S\n0.785654 0.725868 0.039337 S\n0.285654 0.774132 0.539337 S\n0.214346 0.274132 0.960664 S\n0.492164 0.932851 0.784401 S\n0.146341 0.053754 0.600978 S\n",
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{
"id": "jvasp-97862",
"created_at": "2022-09-04T14:35:53.019091Z",
"updated_at": "2022-09-04T14:35:53.019118Z",
"structure_string": "Si16 O32\n1.0\n8.371167 0.000000 0.000000\n0.000000 9.428439 -0.000000\n0.000000 0.000000 9.459697\nSi O\n16 32\ndirect\n0.313143 0.192207 0.099856 Si\n0.186898 0.899358 0.191827 Si\n0.686858 0.692207 0.400145 Si\n0.313143 0.692207 0.400145 Si\n0.813102 0.399358 0.308173 Si\n0.686858 0.807794 0.900145 Si\n0.813102 0.600642 0.691827 Si\n0.813102 0.899358 0.191827 Si\n0.686858 0.192207 0.099856 Si\n0.686858 0.307793 0.599856 Si\n0.813102 0.100642 0.808174 Si\n0.186898 0.600642 0.691827 Si\n0.313143 0.807794 0.900145 Si\n0.313143 0.307793 0.599856 Si\n0.186898 0.399358 0.308173 Si\n0.186898 0.100642 0.808174 Si\n0.749443 0.846080 0.345426 O\n0.208249 0.429821 0.679232 O\n0.250557 0.653920 0.845427 O\n0.000000 0.640243 0.670752 O\n0.749443 0.346080 0.154574 O\n0.749443 0.653920 0.845427 O\n0.250557 0.846080 0.345426 O\n0.291214 0.318659 0.429522 O\n0.708786 0.318659 0.429522 O\n0.749443 0.153920 0.654574 O\n0.791752 0.929821 0.820768 O\n0.291214 0.681341 0.570479 O\n0.000000 0.359758 0.329249 O\n0.291214 0.818659 0.070478 O\n0.250557 0.153920 0.654574 O\n0.708786 0.181341 0.929522 O\n0.208249 0.570180 0.320768 O\n0.291214 0.181341 0.929522 O\n0.500000 0.330339 0.638772 O\n0.000000 0.140242 0.829249 O\n0.208249 0.929821 0.820768 O\n0.791752 0.570180 0.320768 O\n0.708786 0.818659 0.070478 O\n0.708786 0.681341 0.570479 O\n0.500000 0.169661 0.138772 O\n0.000000 0.859758 0.170752 O\n0.791752 0.429821 0.679232 O\n0.250557 0.346080 0.154574 O\n0.208249 0.070180 0.179232 O\n0.500000 0.669661 0.361228 O\n0.500000 0.830339 0.861228 O\n0.791752 0.070180 0.179232 O\n",
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"elements": [
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],
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"density": 2.138095298474653,
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"volume": 746.6258590849031,
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"formula_full": "Si16 O32",
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{
"id": "jvasp-88078",
"created_at": "2022-09-04T14:35:41.186631Z",
"updated_at": "2022-09-04T14:35:41.186661Z",
"structure_string": "Si16 O32\n1.0\n9.244882 0.000000 4.721878\n4.622441 10.093830 2.360939\n0.031159 -0.000000 11.350129\nSi O\n16 32\ndirect\n0.359896 0.280208 0.500000 Si\n0.859896 0.500000 0.280208 Si\n0.359896 0.500000 0.280208 Si\n0.733804 0.154748 0.377644 Si\n0.266196 0.622356 0.845252 Si\n0.640104 0.500000 0.719792 Si\n0.140104 0.719792 0.500000 Si\n0.888552 0.377644 0.845253 Si\n0.111448 0.622356 0.154748 Si\n0.266196 0.845252 0.622357 Si\n0.640104 0.719792 0.500000 Si\n0.140104 0.500000 0.719792 Si\n0.733804 0.377644 0.154748 Si\n0.888552 0.845252 0.377644 Si\n0.859896 0.280208 0.500000 Si\n0.111448 0.154748 0.622356 Si\n0.167844 -0.000000 0.664313 O\n0.266837 0.534476 0.186860 O\n0.733162 0.465524 0.813140 O\n0.000000 0.243487 0.756513 O\n0.832156 0.335688 0.000000 O\n0.266837 0.186860 0.534476 O\n0.546303 0.465524 0.186860 O\n0.198686 0.534476 0.813140 O\n0.988173 0.465524 0.813140 O\n0.453697 0.813140 0.534477 O\n0.011826 0.534476 0.186860 O\n0.167844 0.664312 0.000000 O\n0.660166 0.626556 0.626557 O\n0.913277 0.373444 0.373444 O\n0.801314 0.186860 0.465524 O\n0.011826 0.186860 0.534476 O\n0.756512 0.243487 0.243488 O\n-0.000000 0.756513 0.243488 O\n0.988173 0.813140 0.465524 O\n0.453697 0.534476 0.813140 O\n0.198686 0.813140 0.534477 O\n0.713279 0.373444 0.626557 O\n0.286721 0.626556 0.373444 O\n0.801314 0.465524 0.186860 O\n0.832156 -0.000000 0.335688 O\n0.546303 0.186860 0.465524 O\n0.713279 0.626556 0.373444 O\n0.286721 0.373444 0.626556 O\n0.733162 0.813140 0.465524 O\n0.243487 0.756513 0.756513 O\n0.086723 0.626556 0.626556 O\n0.339834 0.373444 0.373444 O\n",
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"volume": 1057.666576324689,
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{
"id": "jvasp-91330",
"created_at": "2022-09-04T14:36:01.274760Z",
"updated_at": "2022-09-04T14:36:01.274786Z",
"structure_string": "Cr6 B14 Br2 O26\n1.0\n7.457896 -0.000000 4.305819\n2.485966 7.031372 4.305819\n0.000000 0.000000 8.611637\nCr B Br O\n6 14 2 26\ndirect\n0.500001 0.500000 -0.000000 Cr\n0.000000 0.500000 0.500000 Cr\n0.000000 0.500000 -0.000000 Cr\n0.500000 0.000000 0.500000 Cr\n0.000000 0.000000 0.500000 Cr\n0.500000 0.000000 -0.000000 Cr\n0.080223 0.759334 0.080222 B\n0.250001 0.750000 0.750000 B\n0.250001 0.750000 0.250000 B\n0.750001 0.250000 0.750000 B\n0.250000 0.250000 0.750000 B\n0.750001 0.250000 0.250000 B\n0.080222 0.080222 0.080222 B\n0.580223 0.580222 0.259334 B\n0.259334 0.580222 0.580223 B\n0.580223 0.259334 0.580223 B\n0.759334 0.080222 0.080222 B\n0.080222 0.080222 0.759334 B\n0.580223 0.580222 0.580223 B\n0.750001 0.750000 0.250000 B\n0.250000 0.250000 0.250000 Br\n0.750001 0.750000 0.750000 Br\n0.000000 0.000000 0.000000 O\n0.704660 0.935754 0.101796 O\n0.101796 0.257790 0.704659 O\n0.204659 0.601795 0.435755 O\n0.757790 0.204659 0.435755 O\n0.757791 0.601795 0.204659 O\n0.757791 0.435754 0.601796 O\n0.935755 0.704659 0.257790 O\n0.257790 0.704659 0.101796 O\n0.257791 0.935754 0.704659 O\n0.935755 0.101796 0.704659 O\n0.704659 0.101796 0.257790 O\n0.101796 0.704659 0.935755 O\n0.704659 0.257790 0.935755 O\n0.101796 0.935754 0.257790 O\n0.935755 0.257790 0.101796 O\n0.204659 0.435754 0.757790 O\n0.435755 0.204659 0.601796 O\n0.435755 0.757790 0.204659 O\n0.601796 0.204659 0.757790 O\n0.204660 0.757790 0.601796 O\n0.601796 0.435754 0.204659 O\n0.257790 0.101796 0.935755 O\n0.601796 0.757790 0.435755 O\n0.435755 0.601795 0.757790 O\n0.500001 0.500000 0.500000 O\n",
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"formula_full": "Cr6 B14 Br2 O26",
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{
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"created_at": "2022-09-04T14:36:19.005321Z",
"updated_at": "2022-09-04T14:36:19.005346Z",
"structure_string": "Ba4 Al16 O28\n1.0\n12.884504 0.000000 0.000000\n0.000000 10.304490 0.000000\n0.000000 0.000000 4.897320\nBa Al O\n4 16 28\ndirect\n0.000000 0.743184 0.988279 Ba\n0.000000 0.243184 0.011721 Ba\n0.500000 0.421405 0.511717 Ba\n0.500000 0.921405 0.488283 Ba\n0.117841 0.490606 0.450792 Al\n0.882159 0.490606 0.450792 Al\n0.882159 0.990606 0.549208 Al\n0.382158 0.173986 0.950797 Al\n0.617841 0.173986 0.950797 Al\n0.617841 0.673986 0.049203 Al\n0.382158 0.673986 0.049203 Al\n0.117841 0.990606 0.549208 Al\n0.751735 0.238973 0.446944 Al\n0.751735 0.738973 0.553056 Al\n0.248265 0.738973 0.553056 Al\n0.251736 0.425617 0.946944 Al\n0.748264 0.425617 0.946944 Al\n0.748264 0.925617 0.053056 Al\n0.251736 0.925617 0.053056 Al\n0.248265 0.238973 0.446944 Al\n0.364900 0.190115 0.595445 O\n0.368298 0.011071 0.043551 O\n0.631702 0.011071 0.043551 O\n0.631702 0.511071 0.956449 O\n0.368298 0.511071 0.956449 O\n0.131700 0.153525 0.456455 O\n0.868300 0.653525 0.543545 O\n0.868300 0.153525 0.456455 O\n0.277970 0.769206 0.904677 O\n0.722030 0.769206 0.904677 O\n0.635100 0.190115 0.595445 O\n0.131700 0.653525 0.543545 O\n0.635100 0.690115 0.404555 O\n0.500000 0.245328 0.040424 O\n0.222029 0.395382 0.595323 O\n0.777971 0.395382 0.595323 O\n0.777971 0.895383 0.404678 O\n0.222029 0.895383 0.404678 O\n0.135098 0.474476 0.095439 O\n0.864901 0.474476 0.095439 O\n0.864901 0.974476 0.904561 O\n0.135098 0.974476 0.904561 O\n0.722030 0.269206 0.095323 O\n0.500000 0.745328 0.959576 O\n0.000000 0.419254 0.540416 O\n0.000000 0.919254 0.459584 O\n0.364900 0.690115 0.404555 O\n0.277970 0.269206 0.095323 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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