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{
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{
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"structure_string": "Na6 Yb2 Cl12\n1.0\n-5.934779 0.000000 3.975949\n0.000000 -7.478047 0.000000\n5.404107 0.000000 7.995061\nNa Yb Cl\n6 2 12\ndirect\n0.000000 0.000000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.993630 0.573451 0.260772 Na\n0.006370 0.426549 0.739228 Na\n0.506370 0.073451 0.239228 Na\n0.493630 0.926549 0.760772 Na\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Yb\n0.824267 0.304217 0.089822 Cl\n0.175733 0.695783 0.910178 Cl\n0.675733 0.804217 0.410178 Cl\n0.324267 0.195783 0.589822 Cl\n0.155393 0.911920 0.244814 Cl\n0.844607 0.088080 0.755186 Cl\n0.344607 0.411920 0.255186 Cl\n0.655393 0.588080 0.744814 Cl\n0.687350 0.816466 0.073365 Cl\n0.312650 0.183534 0.926635 Cl\n0.812650 0.316466 0.426635 Cl\n0.187350 0.683534 0.573365 Cl\n",
"nsites": 20,
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"elements": [
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"volume": 515.5019663536613,
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"formula_full": "Na6 Yb2 Cl12",
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},
{
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"structure_string": "Si2 Ag6\n1.0\n2.961703 -5.129820 0.000000\n2.961703 5.129820 0.000000\n0.000000 0.000000 4.569080\nSi Ag\n2 6\ndirect\n0.333333 0.666667 0.750000 Si\n0.666667 0.333333 0.250000 Si\n0.170801 0.341602 0.250000 Ag\n0.658398 0.829199 0.250000 Ag\n0.170801 0.829199 0.250000 Ag\n0.829199 0.658398 0.750000 Ag\n0.341602 0.170801 0.750000 Ag\n0.829199 0.170801 0.750000 Ag\n",
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{
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"structure_string": "Ti6 Zn2 P8 O28\n1.0\n7.891310 0.000000 0.000000\n0.000000 7.628516 0.000000\n0.000000 3.670323 9.067229\nTi Zn P O\n6 2 8 28\ndirect\n0.135395 0.815735 0.527153 Ti\n0.635395 0.184265 0.972847 Ti\n0.864605 0.184265 0.472847 Ti\n0.364605 0.815735 0.027153 Ti\n0.000000 0.000000 0.000000 Ti\n0.500000 0.000000 0.500000 Ti\n0.000000 0.500000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n0.950694 0.393480 0.698827 P\n0.450694 0.606520 0.801173 P\n0.049306 0.606520 0.301173 P\n0.549306 0.393480 0.198827 P\n0.205890 0.116697 0.690962 P\n0.705890 0.883303 0.809038 P\n0.794110 0.883303 0.309038 P\n0.294110 0.116697 0.190962 P\n0.377143 0.136324 0.616377 O\n0.877143 0.863676 0.883623 O\n0.622857 0.863676 0.383623 O\n0.122857 0.136324 0.116377 O\n0.391836 0.732968 0.641224 O\n0.891836 0.267032 0.858776 O\n0.608164 0.267032 0.358776 O\n0.108164 0.732968 0.141224 O\n0.835542 0.352233 0.589361 O\n0.335542 0.647767 0.910639 O\n0.164458 0.647767 0.410639 O\n0.664458 0.352233 0.089361 O\n0.140028 0.319466 0.677736 O\n0.640028 0.680534 0.822264 O\n0.859972 0.680534 0.322264 O\n0.359972 0.319466 0.177736 O\n0.521154 0.600623 0.170892 O\n0.021154 0.399377 0.329108 O\n0.478846 0.399377 0.829108 O\n0.978846 0.600623 0.670892 O\n0.790426 0.992431 0.139761 O\n0.290426 0.007569 0.360239 O\n0.209574 0.007569 0.860239 O\n0.709574 0.992431 0.639761 O\n0.422823 0.032956 0.111350 O\n0.922823 0.967044 0.388650 O\n0.577177 0.967044 0.888650 O\n0.077177 0.032956 0.611350 O\n",
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"formula_full": "Ti6 Zn2 P8 O28",
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{
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"created_at": "2022-09-04T14:48:31.334565Z",
"structure_string": "Ba4 Li2 Cu6 O12\n1.0\n0.000000 5.782446 7.118254\n4.167660 0.000000 7.118254\n4.167660 5.782446 0.000000\nBa Li Cu O\n4 2 6 12\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ba\n0.230220 0.769780 0.230220 Ba\n0.769780 0.230220 0.769780 Ba\n0.665787 0.665787 0.334213 Li\n0.334213 0.334213 0.665787 Li\n0.995863 0.310067 0.004137 Cu\n0.689933 0.004137 0.310067 Cu\n0.004137 0.689933 0.995863 Cu\n0.310067 0.995863 0.689933 Cu\n0.679101 0.320899 0.320899 Cu\n0.320899 0.679101 0.679101 Cu\n0.897242 0.295245 0.322672 O\n0.484841 0.322672 0.295245 O\n0.677328 0.515159 0.102758 O\n0.704755 0.102758 0.515159 O\n0.102758 0.704755 0.677328 O\n0.515159 0.677328 0.704755 O\n0.921621 0.693717 0.306283 O\n0.078379 0.306283 0.693717 O\n0.322672 0.484841 0.897242 O\n0.295245 0.897242 0.484841 O\n0.693717 0.921621 0.078379 O\n0.306283 0.078379 0.921621 O\n",
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{
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{
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"structure_string": "Li2 V4 P8 H4 O32\n1.0\n7.891227 0.000000 0.000000\n0.000000 7.757700 0.000000\n0.000000 3.846023 8.966271\nLi V P H O\n2 4 8 4 32\ndirect\n0.130774 0.401088 0.726146 Li\n0.630774 0.598912 0.273854 Li\n0.504937 0.245271 0.752738 V\n0.993113 0.762591 0.748768 V\n0.493113 0.237409 0.251232 V\n0.004937 0.754729 0.247262 V\n0.154913 0.017366 0.930897 P\n0.349628 0.516290 0.928332 P\n0.641050 0.977232 0.570104 P\n0.141050 0.022768 0.429896 P\n0.843908 0.487874 0.568754 P\n0.343908 0.512126 0.431246 P\n0.654913 0.982634 0.069103 P\n0.849628 0.483710 0.071668 P\n0.488472 0.740588 0.987595 H\n0.493248 0.735510 0.489188 H\n0.993248 0.264490 0.510812 H\n0.988472 0.259412 0.012405 H\n0.056845 0.195801 0.904656 O\n0.671907 0.114128 0.903586 O\n0.329763 0.063056 0.857987 O\n0.055837 0.898190 0.854378 O\n0.444532 0.698547 0.903655 O\n0.837025 0.611211 0.901227 O\n0.172243 0.565195 0.853409 O\n0.442988 0.400715 0.854471 O\n0.558172 0.094825 0.647271 O\n0.825923 0.925466 0.639572 O\n0.159464 0.888545 0.598856 O\n0.548439 0.799945 0.591094 O\n0.947281 0.596704 0.645834 O\n0.669748 0.433174 0.639261 O\n0.048439 0.200055 0.408906 O\n0.659464 0.111455 0.401144 O\n0.324665 0.389347 0.599518 O\n0.952391 0.309959 0.597569 O\n0.325923 0.074534 0.360428 O\n0.058172 0.905175 0.352729 O\n0.452391 0.690041 0.402431 O\n0.824665 0.610653 0.400482 O\n0.169748 0.566826 0.360739 O\n0.447281 0.403296 0.354166 O\n0.555837 0.101810 0.145622 O\n0.829763 0.936944 0.142013 O\n0.171907 0.885872 0.096414 O\n0.556845 0.804199 0.095344 O\n0.942988 0.599285 0.145529 O\n0.672243 0.434805 0.146591 O\n0.337025 0.388789 0.098773 O\n0.944532 0.301453 0.096345 O\n",
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{
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"structure_string": "Mg1 H8 Cl2 O12\n1.0\n3.953183 5.676032 0.000000\n-3.953183 5.676032 0.000000\n0.000000 2.266349 5.556930\nMg H Cl O\n1 8 2 12\ndirect\n0.000000 0.000000 0.000000 Mg\n0.241337 0.042430 0.263297 H\n0.042430 0.241337 0.263297 H\n0.619482 0.281884 0.134727 H\n0.718116 0.380518 0.865273 H\n0.281884 0.619482 0.134727 H\n0.380518 0.718116 0.865273 H\n0.957570 0.758663 0.736703 H\n0.758663 0.957570 0.736703 H\n0.301923 0.301923 0.602748 Cl\n0.698077 0.698077 0.397252 Cl\n0.116186 0.116186 0.196163 O\n0.163123 0.163123 0.658760 O\n0.487914 0.186654 0.699310 O\n0.742730 0.257270 0.000000 O\n0.363903 0.363903 0.338098 O\n0.186654 0.487914 0.699310 O\n0.813346 0.512086 0.300690 O\n0.636097 0.636097 0.661902 O\n0.257270 0.742730 0.000000 O\n0.512086 0.813346 0.300690 O\n0.836877 0.836877 0.341240 O\n0.883814 0.883814 0.803837 O\n",
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