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{
"id": "jvasp-43243",
"created_at": "2022-09-04T14:36:30.477504Z",
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"structure_string": "Li2 Co2 P2 O8\n1.0\n4.537627 0.005059 0.018925\n-1.199800 4.945327 0.016942\n-1.700142 -0.418284 7.156113\nLi Co P O\n2 2 2 8\ndirect\n0.734246 0.710253 0.986491 Li\n0.265755 0.289748 0.013507 Li\n0.964139 0.769157 0.584884 Co\n0.035862 0.230844 0.415114 Co\n0.345145 0.812821 0.254880 P\n0.654856 0.187181 0.745119 P\n0.149556 0.615748 0.371285 O\n0.318443 0.088689 0.619353 O\n0.646258 0.329642 0.924824 O\n0.197641 0.057982 0.210814 O\n0.802360 0.942019 0.789185 O\n0.353743 0.670360 0.075175 O\n0.681558 0.911313 0.380645 O\n0.850445 0.384254 0.628714 O\n",
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{
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"structure_string": "Sb8 S8 O4\n1.0\n5.880387 -0.056315 0.051978\n-2.787369 7.707376 0.003855\n-2.521502 -3.091135 10.002263\nSb S O\n8 8 4\ndirect\n0.336142 0.355782 0.100549 Sb\n0.663858 0.644218 0.899451 Sb\n0.360849 0.870261 0.134423 Sb\n0.639151 0.129739 0.865577 Sb\n0.982563 0.338448 0.367781 Sb\n0.017438 0.661551 0.632219 Sb\n0.963833 0.832022 0.366433 Sb\n0.036168 0.167978 0.633568 Sb\n0.482593 0.705297 0.304934 S\n0.517408 0.294702 0.695066 S\n0.497981 0.191302 0.298292 S\n0.502019 0.808697 0.701708 S\n0.225152 0.524292 0.912866 S\n0.774659 0.954682 0.087505 S\n0.774848 0.475707 0.087134 S\n0.225342 0.045317 0.912495 S\n0.961171 0.099593 0.430796 O\n0.926425 0.586779 0.428708 O\n0.073576 0.413220 0.571293 O\n0.038830 0.900406 0.569205 O\n",
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{
"id": "jvasp-4074",
"created_at": "2022-09-04T14:36:31.005122Z",
"updated_at": "2022-09-04T14:36:31.005149Z",
"structure_string": "P2 I4\n1.0\n4.511747 0.071917 -0.209732\n1.963571 7.129666 -0.061373\n1.106809 0.924034 6.850801\nP I\n2 4\ndirect\n0.400694 0.038540 0.852858 P\n0.599307 0.961460 0.147142 P\n0.571933 0.339135 0.772104 I\n0.428068 0.660866 0.227897 I\n0.832116 0.799704 0.695664 I\n0.167885 0.200296 0.304337 I\n",
"nsites": 6,
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{
"id": "jvasp-99027",
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"updated_at": "2022-09-04T14:36:31.456949Z",
"structure_string": "W2 S2 Cl8\n1.0\n6.046953 0.161228 -0.036010\n-0.651890 6.698598 1.510921\n-2.920415 0.010824 7.640259\nW S Cl\n2 2 8\ndirect\n0.137620 0.243195 0.218096 W\n0.862379 0.756805 0.781904 W\n0.311762 -0.035339 0.296549 S\n0.688237 0.035339 0.703451 S\n0.878737 0.656092 0.083043 Cl\n0.121261 0.343908 0.916957 Cl\n0.547247 0.545610 0.712586 Cl\n0.452752 0.454390 0.287414 Cl\n0.921935 0.733765 0.525266 Cl\n0.078063 0.266235 0.474734 Cl\n0.253455 0.845547 0.897073 Cl\n0.746543 0.154453 0.102927 Cl\n",
"nsites": 12,
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"elements": [
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"Cl"
],
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"volume": 308.76565162045995,
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{
"id": "jvasp-95609",
"created_at": "2022-09-04T14:36:31.335260Z",
"updated_at": "2022-09-04T14:36:31.335286Z",
"structure_string": "Na7 Al1 H2 C4 O12 F4\n1.0\n6.390664 -0.046922 -0.837358\n-3.389738 5.832191 -0.290671\n-0.009356 0.001844 8.860151\nNa Al H C O F\n7 1 2 4 12 4\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 -0.000000 Na\n0.500000 0.000000 -0.000000 Na\n0.274984 0.615077 0.641591 Na\n0.725014 0.384923 0.358408 Na\n0.221931 0.881763 0.357154 Na\n0.778067 0.118237 0.642846 Na\n-0.000000 0.500000 0.000000 Al\n0.240771 0.237793 0.505803 H\n0.759227 0.762206 0.494196 H\n0.712327 0.887855 0.299714 C\n0.287671 0.112145 0.700286 C\n0.795621 0.610258 0.714472 C\n0.204377 0.389742 0.285527 C\n0.286647 0.260353 0.339413 O\n0.153679 0.507864 0.373499 O\n0.846319 0.492135 0.626500 O\n0.175853 0.392498 0.135665 O\n0.824145 0.607501 0.864335 O\n0.713351 0.739647 0.660586 O\n0.648720 0.008867 0.372691 O\n0.708205 0.867803 0.156632 O\n0.205739 0.233770 0.617935 O\n0.794259 0.766229 0.382065 O\n0.351279 0.991132 0.627309 O\n0.291793 0.132196 0.843368 O\n0.154003 0.788523 0.107351 F\n0.250444 0.609729 0.891080 F\n0.749555 0.390270 0.108919 F\n0.845995 0.211477 0.892649 F\n",
"nsites": 30,
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"F"
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"density_atomic": 0.09124493592470126,
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"formula_full": "Na7 Al1 H2 C4 O12 F4",
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{
"id": "jvasp-52831",
"created_at": "2022-09-04T14:36:31.558602Z",
"updated_at": "2022-09-04T14:36:31.558630Z",
"structure_string": "Na2 H6 C4 O10\n1.0\n-5.719917 0.013985 0.016171\n2.216218 5.925045 0.004801\n-0.550811 -1.592369 -6.464231\nNa H C O\n2 6 4 10\ndirect\n0.759066 0.753786 0.972901 Na\n0.240935 0.246216 0.027099 Na\n0.232017 0.799742 0.766040 H\n0.767984 0.200260 0.233960 H\n0.254786 0.776300 -0.003117 H\n0.745214 0.223702 0.003118 H\n0.992726 0.743824 0.393426 H\n0.007274 0.256177 0.606574 H\n0.597780 0.277219 0.642329 C\n0.402221 0.722783 0.357671 C\n0.646995 0.742167 0.458782 C\n0.353006 0.257835 0.541218 C\n0.180639 0.843762 0.911139 O\n0.659596 0.756321 0.644616 O\n0.340404 0.243680 0.355384 O\n0.828655 0.735633 0.325486 O\n0.171346 0.264368 0.674514 O\n0.387083 0.667215 0.163246 O\n0.612917 0.332787 0.836755 O\n0.235233 0.761871 0.483177 O\n0.764767 0.238131 0.516823 O\n0.819362 0.156240 0.088861 O\n",
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{
"id": "jvasp-96831",
"created_at": "2022-09-04T14:36:31.720365Z",
"updated_at": "2022-09-04T14:36:31.720381Z",
"structure_string": "Pr10 C4 Cl18\n1.0\n8.527577 0.014450 0.699914\n4.110144 7.563865 0.782627\n0.019377 -0.020308 11.902343\nPr C Cl\n10 4 18\ndirect\n0.132374 0.272123 0.271466 Pr\n0.769202 0.071717 0.257234 Pr\n0.793772 0.316371 0.507014 Pr\n0.206228 0.683628 0.492986 Pr\n0.603673 0.600717 0.216333 Pr\n0.396328 0.399282 0.783666 Pr\n0.230799 0.928282 0.742766 Pr\n0.898578 0.294933 0.993736 Pr\n0.101423 0.705066 0.006263 Pr\n0.867627 0.727876 0.728534 Pr\n0.141238 0.699660 0.810049 C\n0.172275 0.688738 0.690212 C\n0.858763 0.300340 0.189951 C\n0.827726 0.311261 0.309787 C\n0.838305 0.134735 0.743680 Cl\n0.822239 0.946356 0.495785 Cl\n0.500000 0.500000 -0.000000 Cl\n0.083673 0.338702 0.768508 Cl\n0.543424 0.677424 0.449113 Cl\n0.775607 0.041345 0.019951 Cl\n0.177762 0.053643 0.504215 Cl\n0.485899 0.984906 0.228364 Cl\n0.397330 0.409523 0.276341 Cl\n0.224393 0.958654 0.980049 Cl\n0.219271 0.330404 0.030788 Cl\n0.602670 0.590476 0.723659 Cl\n0.916328 0.661297 0.231492 Cl\n0.780730 0.669595 0.969212 Cl\n0.000000 0.500000 0.500000 Cl\n0.161696 0.865264 0.256320 Cl\n0.514102 0.015093 0.771635 Cl\n0.456577 0.322575 0.550887 Cl\n",
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{
"id": "jvasp-104137",
"created_at": "2022-09-04T14:36:31.688975Z",
"updated_at": "2022-09-04T14:36:31.689008Z",
"structure_string": "H24 C28\n1.0\n4.558809 -0.006984 -0.913764\n-2.362467 8.455260 -0.452774\n-0.051798 -0.116614 11.506458\nH C\n24 28\ndirect\n0.509404 0.230999 0.181626 H\n0.441442 0.451094 0.808903 H\n0.440935 0.451185 0.308911 H\n0.507633 0.984773 0.017264 H\n0.507238 0.985357 0.517484 H\n0.056679 0.597114 0.272299 H\n0.123413 0.130707 0.980673 H\n0.123246 0.130933 0.480613 H\n0.054758 0.350830 0.107969 H\n0.054778 0.351099 0.607897 H\n0.550523 0.797323 0.354851 H\n0.551512 0.796666 0.854624 H\n0.057413 0.596656 0.772061 H\n0.600817 0.504833 0.618868 H\n0.963845 0.077183 0.670679 H\n0.963358 0.077303 0.170643 H\n0.537031 0.605292 0.992699 H\n0.537091 0.605614 0.492657 H\n0.027566 0.976397 0.796890 H\n0.027265 0.976580 0.296869 H\n0.013803 0.784558 0.934711 H\n0.013122 0.785357 0.434926 H\n0.510096 0.230994 0.681608 H\n0.600982 0.504555 0.118918 H\n0.999105 0.676582 0.097541 C\n0.565519 0.905264 0.692023 C\n0.565203 0.905311 0.192026 C\n0.743490 0.417273 0.467362 C\n0.743709 0.417076 0.967396 C\n0.592755 0.381247 0.846790 C\n0.630603 0.257068 0.775338 C\n0.129699 0.787903 0.527578 C\n0.129984 0.787443 0.027465 C\n0.592311 0.381360 0.346782 C\n0.999139 0.676746 0.597522 C\n0.630052 0.257139 0.275338 C\n0.821124 0.164722 0.822183 C\n0.862961 0.030133 0.744212 C\n0.434331 0.794445 0.262100 C\n0.434949 0.794113 0.761969 C\n0.934261 0.324743 0.014238 C\n0.934109 0.324964 0.514188 C\n0.155891 0.681724 0.215737 C\n0.156375 0.681499 0.715598 C\n0.972109 0.200561 0.942787 C\n0.971850 0.200747 0.442742 C\n0.701771 0.551626 0.045370 C\n0.701698 0.551877 0.545333 C\n0.408277 0.900513 0.573948 C\n0.862552 0.030257 0.244194 C\n0.820689 0.164838 0.322162 C\n0.408418 0.900166 0.073828 C\n",
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{
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"created_at": "2022-09-04T14:36:32.017805Z",
"updated_at": "2022-09-04T14:36:32.017827Z",
"structure_string": "Al4 Te4 Cl28\n1.0\n6.381655 -0.023744 -0.752371\n-1.127175 8.194025 -0.455226\n0.132808 0.069729 19.340826\nAl Te Cl\n4 4 28\ndirect\n0.307884 0.098354 0.396503 Al\n0.709723 0.334589 0.877226 Al\n0.692117 0.901647 0.603497 Al\n0.290278 0.665412 0.122774 Al\n0.714863 0.274899 0.108893 Te\n0.253060 0.281999 0.619801 Te\n0.285137 0.725102 0.891107 Te\n0.746941 0.718002 0.380199 Te\n0.613700 0.049980 0.367980 Cl\n0.134190 0.966874 0.878733 Cl\n0.381725 0.147528 0.056160 Cl\n0.661219 0.130760 0.804137 Cl\n0.117092 0.163020 0.309053 Cl\n0.624303 0.291116 0.222674 Cl\n0.865408 0.740441 0.270033 Cl\n0.093866 0.715211 0.029033 Cl\n0.829666 0.113553 0.553218 Cl\n0.860847 0.550011 0.832395 Cl\n0.405695 0.587532 0.338063 Cl\n0.112703 0.526114 0.598807 Cl\n0.627227 0.696491 0.524856 Cl\n0.170335 0.886448 0.446782 Cl\n0.139154 0.449990 0.167605 Cl\n0.411185 0.392992 0.909157 Cl\n0.386300 0.950021 0.632020 Cl\n0.882909 0.836981 0.690947 Cl\n0.906134 0.284790 0.970967 Cl\n0.375697 0.708885 0.777326 Cl\n0.588816 0.607009 0.090843 Cl\n0.865811 0.033127 0.121267 Cl\n0.134593 0.259560 0.729967 Cl\n0.338781 0.869241 0.195863 Cl\n0.618275 0.852473 0.943840 Cl\n0.594306 0.412469 0.661937 Cl\n0.887298 0.473887 0.401193 Cl\n0.372774 0.303510 0.475144 Cl\n",
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"created_at": "2022-09-04T14:36:32.639329Z",
"updated_at": "2022-09-04T14:36:32.639350Z",
"structure_string": "Al8 Si4 O20\n1.0\n5.290964 0.060637 0.645096\n-1.275523 7.981473 -2.659840\n0.897797 -0.253950 8.471036\nAl Si O\n8 4 20\ndirect\n0.783678 0.830006 0.313056 Al\n0.262331 0.993532 0.944225 Al\n0.672051 0.190027 0.808338 Al\n0.327950 0.809973 0.191663 Al\n0.875973 0.817931 0.670764 Al\n0.737670 0.006468 0.055776 Al\n0.124027 0.182069 0.329237 Al\n0.216323 0.169994 0.686945 Al\n0.576906 0.392120 0.574395 Si\n0.011504 0.455156 0.674076 Si\n0.423094 0.607880 0.425606 Si\n0.988497 0.544844 0.325925 Si\n0.878484 0.295997 0.509752 O\n0.788143 0.574299 0.686833 O\n0.909784 0.041167 0.678297 O\n0.211858 0.425701 0.313168 O\n0.950268 0.872052 0.878943 O\n0.649448 0.770021 0.515416 O\n0.680760 0.463415 0.380140 O\n0.090216 0.958833 0.321704 O\n0.319241 0.536585 0.619861 O\n0.411559 0.846781 0.991253 O\n0.121516 0.704003 0.490249 O\n0.499059 0.331198 0.752534 O\n0.500941 0.668802 0.247467 O\n0.049732 0.127948 0.121057 O\n0.375744 0.040675 0.748949 O\n0.350552 0.229979 0.484585 O\n0.588441 0.153219 0.008748 O\n0.008532 0.646729 0.193728 O\n-0.008531 0.353270 0.806272 O\n0.624256 0.959325 0.251052 O\n",
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{
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"elements": [
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{
"id": "jvasp-99031",
"created_at": "2022-09-04T14:36:32.613596Z",
"updated_at": "2022-09-04T14:36:32.613626Z",
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],
"chemical_system": "Be-Na-O",
"density": 2.439762069331678,
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"spacegroup": 2
}
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}