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{
"id": "jvasp-5767",
"created_at": "2022-09-04T14:37:42.314349Z",
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"structure_string": "Pd12 S12 Cl12\n1.0\n0.000000 7.729347 -0.027330\n11.979054 0.000000 0.000000\n0.000000 -3.299926 -8.624024\nPd S Cl\n12 12 12\ndirect\n0.603628 0.372530 0.098010 Pd\n0.349047 0.750000 0.439562 Pd\n0.650953 0.250000 0.560438 Pd\n0.658807 0.750000 0.795286 Pd\n0.909872 0.125465 0.453288 Pd\n0.090128 0.625465 0.546712 Pd\n0.341193 0.250000 0.204714 Pd\n0.909872 0.374535 0.453288 Pd\n0.603628 0.127469 0.098010 Pd\n0.396372 0.627469 0.901989 Pd\n0.396372 0.872530 0.901989 Pd\n0.090128 0.874535 0.546712 Pd\n0.918081 0.339670 0.208671 S\n0.360337 0.970461 0.678110 S\n0.918081 0.160330 0.208671 S\n0.081919 0.660330 0.791329 S\n0.081919 0.839670 0.791329 S\n0.548678 0.878597 0.598339 S\n0.451322 0.378597 0.401661 S\n0.639663 0.470461 0.321889 S\n0.548678 0.621402 0.598339 S\n0.639663 0.029538 0.321889 S\n0.360337 0.529538 0.678110 S\n0.451322 0.121403 0.401661 S\n0.587707 0.250000 0.886264 Cl\n0.728871 0.603944 0.985942 Cl\n0.271129 0.103944 0.014058 Cl\n0.412292 0.750000 0.113736 Cl\n0.728871 0.896055 0.985942 Cl\n0.168189 0.250000 0.568075 Cl\n0.140265 0.897083 0.304426 Cl\n0.140265 0.602916 0.304426 Cl\n0.859735 0.102916 0.695574 Cl\n0.859735 0.397083 0.695574 Cl\n0.831810 0.750000 0.431925 Cl\n0.271129 0.396056 0.014058 Cl\n",
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{
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"structure_string": "Zr8 Co16 P12\n1.0\n6.066459 -10.507414 -0.000000\n6.066459 10.507414 0.000000\n-0.000000 0.000000 3.675379\nZr Co P\n8 16 12\ndirect\n0.556505 0.556505 0.000000 Zr\n0.000000 0.443496 0.000000 Zr\n0.443496 0.000000 0.000000 Zr\n0.666667 0.333333 0.000000 Zr\n0.333333 0.666667 0.000000 Zr\n0.176930 0.176930 0.500000 Zr\n0.000000 0.823070 0.500000 Zr\n0.823070 0.000000 0.500000 Zr\n0.723047 0.723047 0.500000 Co\n0.178969 0.371853 0.000000 Co\n0.276953 0.000000 0.500000 Co\n0.000000 0.276953 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.873797 0.518411 0.500000 Co\n0.481590 0.355387 0.500000 Co\n0.644613 0.126203 0.500000 Co\n0.126203 0.644613 0.500000 Co\n0.518411 0.873797 0.500000 Co\n0.807115 0.628147 0.000000 Co\n0.821032 0.192885 0.000000 Co\n0.371853 0.178969 0.000000 Co\n0.192885 0.821032 0.000000 Co\n0.628147 0.807115 0.000000 Co\n0.355387 0.481590 0.500000 Co\n0.175604 0.000000 0.000000 P\n0.000000 0.175604 0.000000 P\n0.307787 0.826086 0.500000 P\n0.173914 0.481701 0.500000 P\n0.481701 0.173914 0.500000 P\n0.000000 0.653988 0.000000 P\n0.692213 0.518300 0.500000 P\n0.653988 0.000000 0.000000 P\n0.346012 0.346012 0.000000 P\n0.518300 0.692213 0.500000 P\n0.826086 0.307787 0.500000 P\n0.824396 0.824396 0.000000 P\n",
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"density": 7.245251894849802,
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{
"id": "jvasp-25649",
"created_at": "2022-09-04T14:37:43.470738Z",
"updated_at": "2022-09-04T14:37:43.470762Z",
"structure_string": "Na4 Bi8 Au4 O20\n1.0\n12.471278 -0.000000 0.000000\n0.000000 12.471278 0.000000\n0.000000 0.000000 3.608161\nNa Bi Au O\n4 8 4 20\ndirect\n0.801210 0.698790 0.500000 Na\n0.698790 0.198790 0.500000 Na\n0.198790 0.301210 0.500000 Na\n0.301210 0.801210 0.500000 Na\n0.769114 0.950560 -0.000068 Bi\n0.549441 0.730886 0.000068 Bi\n0.950560 0.230886 0.000068 Bi\n0.269114 0.549441 -0.000068 Bi\n0.230886 0.049441 -0.000068 Bi\n0.730886 0.450559 -0.000068 Bi\n0.049441 0.769114 0.000068 Bi\n0.450559 0.269114 0.000068 Bi\n0.000000 0.500000 0.500000 Au\n0.500000 0.500000 0.500000 Au\n0.500000 0.000000 0.500000 Au\n0.000000 0.000000 0.500000 Au\n0.286604 0.213396 0.000000 O\n0.883780 0.113808 0.500006 O\n0.786604 0.286604 0.000000 O\n0.886192 0.883780 0.499994 O\n0.386192 0.616220 0.499994 O\n0.616220 0.613808 0.500006 O\n0.613808 0.383780 0.499994 O\n0.504219 0.161095 0.500026 O\n0.213396 0.713396 0.000000 O\n0.713396 0.786604 0.000000 O\n0.838905 0.504219 0.499974 O\n0.113808 0.116220 0.499994 O\n0.495781 0.838905 0.500026 O\n0.995781 0.661095 0.500026 O\n0.383780 0.386192 0.500006 O\n0.116220 0.886192 0.500006 O\n0.338905 0.995781 0.499974 O\n0.161095 0.495781 0.499974 O\n0.661095 0.004219 0.499974 O\n0.004219 0.338905 0.500026 O\n",
"nsites": 36,
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"formula_full": "Na4 Bi8 Au4 O20",
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{
"id": "jvasp-29683",
"created_at": "2022-09-04T14:37:51.209007Z",
"updated_at": "2022-09-04T14:37:51.209024Z",
"structure_string": "Cd12 I24\n1.0\n4.287218 -0.000000 0.000000\n-2.143610 3.712840 0.000000\n0.000000 -0.000000 82.519090\nCd I\n12 24\ndirect\n0.333333 0.666667 0.687505 Cd\n0.333333 0.666667 0.520842 Cd\n0.333333 0.666667 0.437496 Cd\n0.333333 0.666667 0.937483 Cd\n0.333333 0.666667 0.854189 Cd\n0.333333 0.666667 0.104173 Cd\n0.333333 0.666667 0.187503 Cd\n0.333333 0.666667 0.604163 Cd\n0.333333 0.666667 0.270824 Cd\n0.666667 0.333333 0.770835 Cd\n0.666667 0.333333 0.020851 Cd\n0.333333 0.666667 0.354177 Cd\n0.000000 0.000000 0.916472 I\n0.666667 0.333333 0.541849 I\n0.000000 0.000000 0.749816 I\n0.666667 0.333333 0.291832 I\n0.000000 0.000000 0.333167 I\n0.666667 0.333333 0.958488 I\n0.000000 0.000000 0.083154 I\n0.000000 0.000000 0.499831 I\n0.333333 0.666667 0.041850 I\n0.000000 0.000000 0.833169 I\n0.666667 0.333333 0.875189 I\n0.666667 0.333333 0.125173 I\n0.666667 0.333333 0.625168 I\n0.000000 0.000000 0.666492 I\n0.000000 0.000000 0.583150 I\n0.000000 0.000000 0.249815 I\n0.666667 0.333333 0.375184 I\n0.000000 0.000000 0.416485 I\n0.666667 0.333333 0.458502 I\n0.333333 0.666667 0.791833 I\n0.666667 0.333333 0.708508 I\n0.000000 0.000000 0.166492 I\n0.666667 0.333333 0.208509 I\n0.000000 0.000000 0.999831 I\n",
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{
"id": "jvasp-4453",
"created_at": "2022-09-04T14:38:09.989156Z",
"updated_at": "2022-09-04T14:38:09.989190Z",
"structure_string": "Li8 Tb4 F24\n1.0\n0.000000 7.863173 -0.010134\n4.320792 0.000000 0.000000\n0.000000 -3.042057 -11.672277\nTb Li F\n4 8 24\ndirect\n0.250870 0.535284 0.999444 Tb\n0.250871 0.964715 0.499444 Tb\n0.749129 0.464715 0.000555 Tb\n0.749129 0.035285 0.500556 Tb\n0.945358 0.971571 0.821819 Li\n0.945358 0.528428 0.321819 Li\n0.054641 0.028428 0.178181 Li\n0.054641 0.471572 0.678181 Li\n0.619981 0.446928 0.695942 Li\n0.619981 0.053072 0.195942 Li\n0.380018 0.553071 0.304058 Li\n0.380018 0.946928 0.804058 Li\n0.022153 0.754610 0.557630 F\n0.699659 0.949489 0.053967 F\n0.300340 0.449490 0.446033 F\n0.391207 0.837613 0.164495 F\n0.608793 0.337613 0.335505 F\n0.608793 0.162387 0.835505 F\n0.391206 0.662386 0.664495 F\n0.022154 0.745389 0.057630 F\n0.300340 0.050510 0.946033 F\n0.977846 0.254610 0.942370 F\n0.109701 0.838385 0.316946 F\n0.534834 0.423592 0.105121 F\n0.890298 0.161615 0.683054 F\n0.109701 0.661614 0.816946 F\n0.890298 0.338385 0.183054 F\n0.534834 0.076407 0.605121 F\n0.699659 0.550510 0.553967 F\n0.465165 0.923592 0.394879 F\n0.757588 0.713305 0.827388 F\n0.757588 0.786695 0.327388 F\n0.242411 0.286695 0.172612 F\n0.465165 0.576407 0.894879 F\n0.977846 0.245389 0.442370 F\n0.242411 0.213305 0.672612 F\n",
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"volume": 396.70038901517086,
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{
"id": "jvasp-98299",
"created_at": "2022-09-04T14:38:15.028759Z",
"updated_at": "2022-09-04T14:38:15.028786Z",
"structure_string": "H12 Cl4 O20\n1.0\n9.066630 0.000000 -0.305141\n0.000000 5.538780 0.000000\n-0.232408 0.000000 6.934856\nH Cl O\n12 4 20\ndirect\n0.161542 0.893313 0.065322 H\n0.161542 0.606687 0.065322 H\n0.285989 0.750000 0.208106 H\n0.604653 0.750000 0.403694 H\n0.686893 0.750000 0.183801 H\n0.790622 0.750000 0.407377 H\n0.882979 0.250000 0.937627 H\n0.843678 0.250000 0.685779 H\n0.706575 0.250000 0.842612 H\n0.405337 0.250000 0.629942 H\n0.217743 0.250000 0.598623 H\n0.305044 0.250000 0.831915 H\n0.564405 0.750000 0.819567 Cl\n0.060461 0.750000 0.703039 Cl\n0.944382 0.250000 0.316598 Cl\n0.425656 0.250000 0.193287 Cl\n0.077460 0.533460 0.827900 O\n0.693634 0.750000 0.331797 O\n0.182691 0.750000 0.151499 O\n0.418309 0.034996 0.314378 O\n0.924267 0.463461 0.195032 O\n0.573673 0.535873 0.696809 O\n0.077460 0.966540 0.827900 O\n0.573673 0.964127 0.696809 O\n0.418309 0.465004 0.314378 O\n0.291372 0.250000 0.054255 O\n0.428131 0.750000 0.917699 O\n0.910660 0.750000 0.611192 O\n0.557985 0.250000 0.087825 O\n0.092555 0.250000 0.412569 O\n0.693136 0.750000 0.962959 O\n0.170283 0.750000 0.562795 O\n0.812691 0.250000 0.824020 O\n0.831990 0.250000 0.461413 O\n0.924267 0.036539 0.195032 O\n0.309335 0.250000 0.685808 O\n",
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{
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"created_at": "2022-09-04T14:38:05.377025Z",
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"structure_string": "Re12 Se12 Cl12\n1.0\n9.031575 0.044655 -0.000000\n-1.806067 8.849263 -0.000000\n-0.000000 -0.000000 11.299794\nRe Se Cl\n12 12 12\ndirect\n0.130284 0.869715 0.000000 Re\n0.863124 0.136875 0.000000 Re\n0.929777 0.936056 0.150474 Re\n0.848797 0.855849 0.930694 Re\n0.651202 0.644149 0.430694 Re\n0.570222 0.563943 0.650474 Re\n0.636875 0.363124 0.500000 Re\n0.355850 0.348797 0.569305 Re\n0.369715 0.630284 0.500000 Re\n0.144150 0.151202 0.069305 Re\n0.063943 0.070222 0.849526 Re\n0.436056 0.429777 0.349526 Re\n0.551001 0.294258 0.711906 Se\n0.948998 0.205741 0.211906 Se\n0.794258 0.051001 0.788093 Se\n0.839931 0.576646 0.579825 Se\n0.705741 0.448998 0.288093 Se\n0.660067 0.923353 0.079825 Se\n0.423353 0.160068 0.420174 Se\n0.453578 0.703664 0.288341 Se\n0.296335 0.546421 0.711659 Se\n0.076646 0.339932 0.920174 Se\n0.203664 0.953578 0.211659 Se\n0.046421 0.796335 0.788341 Se\n0.856088 0.846678 0.355434 Cl\n0.692221 0.307778 0.000000 Cl\n0.643911 0.653321 0.855434 Cl\n0.573906 0.830206 0.576815 Cl\n0.330206 0.073906 0.923184 Cl\n0.299092 0.700907 0.000000 Cl\n0.807778 0.192221 0.500000 Cl\n0.153321 0.143911 0.644565 Cl\n0.169793 0.426093 0.423185 Cl\n0.200907 0.799092 0.500000 Cl\n0.346678 0.356088 0.144566 Cl\n0.926092 0.669793 0.076815 Cl\n",
"nsites": 36,
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],
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{
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"created_at": "2022-09-04T14:38:14.999899Z",
"updated_at": "2022-09-04T14:38:14.999926Z",
"structure_string": "Si12 O24\n1.0\n10.046065 0.000000 -0.000000\n-5.023032 8.700147 -0.000000\n0.000000 -0.000000 10.310752\nSi O\n12 24\ndirect\n0.568049 0.136098 0.604533 Si\n0.568049 0.431951 0.895467 Si\n0.568049 0.136098 0.895467 Si\n0.431951 0.863903 0.104533 Si\n0.431951 0.863903 0.395467 Si\n0.863902 0.431951 0.895467 Si\n0.136098 0.568049 0.104533 Si\n0.431951 0.568049 0.395467 Si\n0.863902 0.431951 0.604533 Si\n0.568049 0.431951 0.604533 Si\n0.431951 0.568049 0.104533 Si\n0.136098 0.568049 0.395467 Si\n0.061975 0.530987 0.250000 O\n0.500000 -0.000000 0.500000 O\n0.754325 0.508650 0.585934 O\n0.245676 0.754325 0.414066 O\n0.469013 0.530987 0.250000 O\n0.754324 0.245675 0.914066 O\n0.491350 0.245675 0.914066 O\n0.500000 -0.000000 0.000000 O\n0.938025 0.469013 0.750000 O\n0.000000 0.500000 0.000000 O\n0.508649 0.754325 0.414066 O\n0.500000 0.500000 0.500000 O\n0.491350 0.245675 0.585934 O\n0.245676 0.754325 0.085934 O\n0.245675 0.491351 0.414066 O\n0.530987 0.061975 0.750000 O\n0.500000 0.500000 0.000000 O\n0.754324 0.245675 0.585934 O\n0.508649 0.754325 0.085934 O\n0.754325 0.508650 0.914066 O\n0.530987 0.469013 0.750000 O\n0.245675 0.491351 0.085934 O\n0.469013 0.938026 0.250000 O\n0.000000 0.500000 0.500000 O\n",
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{
"id": "jvasp-97340",
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{
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"structure_string": "Rb12 Zn4 Br20\n1.0\n9.003553 -0.000000 0.000000\n-0.000000 10.486662 0.000000\n0.000000 0.000000 13.252502\nRb Zn Br\n12 4 20\ndirect\n0.416001 0.250000 0.547918 Rb\n0.916000 0.250000 0.952082 Rb\n0.583999 0.750000 0.452082 Rb\n0.083999 0.750000 0.047918 Rb\n0.414940 0.017130 0.828111 Rb\n0.914940 0.482870 0.671888 Rb\n0.585060 0.517130 0.171888 Rb\n0.085060 0.982869 0.328111 Rb\n0.585060 0.982869 0.171888 Rb\n0.085060 0.517130 0.328111 Rb\n0.414940 0.482870 0.828111 Rb\n0.914940 0.017130 0.671888 Rb\n0.189731 0.750000 0.607407 Zn\n0.689731 0.750000 0.892592 Zn\n0.310268 0.250000 0.107408 Zn\n0.810268 0.250000 0.392592 Zn\n0.831740 0.750000 0.234508 Br\n0.313475 0.553968 0.562803 Br\n0.813475 0.946032 0.937197 Br\n0.313475 0.946032 0.562803 Br\n0.813475 0.553968 0.937197 Br\n0.686525 0.446032 0.437197 Br\n0.186525 0.053968 0.062803 Br\n0.331740 0.750000 0.265492 Br\n0.668259 0.250000 0.734508 Br\n0.866195 0.250000 0.213826 Br\n0.460728 0.750000 0.990743 Br\n0.960728 0.750000 0.509256 Br\n0.539272 0.250000 0.009257 Br\n0.039272 0.250000 0.490743 Br\n0.133805 0.750000 0.786174 Br\n0.633804 0.750000 0.713826 Br\n0.186525 0.446032 0.062803 Br\n0.366195 0.250000 0.286174 Br\n0.168260 0.250000 0.765492 Br\n0.686525 0.053968 0.437197 Br\n",
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{
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"structure_string": "Na20 Si4 As12\n1.0\n0.000000 8.224003 0.019453\n7.507637 0.000000 0.000000\n0.000000 -8.147120 -13.437185\nNa Si As\n20 4 12\ndirect\n0.560417 0.504548 0.242224 Na\n0.833024 0.349548 0.758209 Na\n0.166976 0.849548 0.741792 Na\n0.833024 0.150452 0.258209 Na\n0.158022 0.162990 0.580827 Na\n0.841979 0.662990 0.919173 Na\n0.841979 0.837011 0.419173 Na\n0.158021 0.337010 0.080827 Na\n0.085149 0.017381 0.912133 Na\n0.914851 0.517382 0.587868 Na\n0.166976 0.650452 0.241792 Na\n0.085149 0.482619 0.412133 Na\n0.248385 0.532575 0.915893 Na\n0.751616 0.032575 0.584108 Na\n0.751615 0.467425 0.084107 Na\n0.248385 0.967425 0.415893 Na\n0.560417 0.995453 0.742224 Na\n0.914851 0.982619 0.087868 Na\n0.439583 0.495453 0.757777 Na\n0.439583 0.004548 0.257777 Na\n0.515042 0.858741 0.085917 Si\n0.484958 0.358740 0.414083 Si\n0.484958 0.141260 0.914084 Si\n0.515042 0.641260 0.585917 Si\n0.522948 0.812855 0.933711 As\n0.761801 0.238321 0.419123 As\n0.238199 0.738321 0.080877 As\n0.238199 0.761680 0.580878 As\n0.761801 0.261680 0.919123 As\n0.188474 0.264014 0.273191 As\n0.811526 0.764014 0.226809 As\n0.811526 0.735987 0.726810 As\n0.188474 0.235986 0.773191 As\n0.477052 0.187145 0.066289 As\n0.522948 0.687146 0.433711 As\n0.477052 0.312855 0.566289 As\n",
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{
"id": "jvasp-89402",
"created_at": "2022-09-04T14:36:17.378446Z",
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"structure_string": "Na10 P6 O20\n1.0\n5.353757 0.000000 0.000000\n-2.676878 4.812385 -0.591259\n0.000000 -0.029111 18.579581\nNa P O\n10 6 20\ndirect\n0.346837 0.652353 0.067013 Na\n0.889667 0.928296 0.824542 Na\n0.461372 0.071706 0.675458 Na\n0.194485 0.347648 0.432987 Na\n0.653164 0.347648 0.932987 Na\n0.538629 0.928295 0.324542 Na\n0.000000 0.000000 0.000000 Na\n0.110334 0.071706 0.175458 Na\n0.805516 0.652353 0.567013 Na\n0.500000 0.000000 0.500000 Na\n0.144688 0.336153 0.598714 P\n0.691465 0.336153 0.098714 P\n0.101108 0.500001 0.750000 P\n0.898893 0.500001 0.250000 P\n0.308535 0.663848 0.901285 P\n0.855313 0.663848 0.401286 P\n0.830845 0.248810 0.766643 O\n0.738697 0.584168 0.313811 O\n0.756948 0.594482 0.062883 O\n0.662466 0.405519 0.437117 O\n0.917966 0.248810 0.266644 O\n0.935224 0.267871 0.097115 O\n0.167352 0.732130 0.402885 O\n0.337535 0.594482 0.562883 O\n0.601859 0.909812 0.924894 O\n0.261304 0.415833 0.686189 O\n0.398142 0.090189 0.075106 O\n0.807955 0.909812 0.424894 O\n0.082035 0.751191 0.733356 O\n0.192046 0.090189 0.575106 O\n0.243053 0.405519 0.937117 O\n0.169155 0.751191 0.233356 O\n0.654530 0.415833 0.186189 O\n0.832649 0.267871 0.597115 O\n0.064777 0.732130 0.902884 O\n0.345471 0.584168 0.813811 O\n",
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}