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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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{
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"updated_at": "2022-09-04T14:38:15.435767Z",
"structure_string": "Rb2 Sm2 P8 O24\n1.0\n7.281638 0.013885 -1.416851\n-3.643308 6.304661 -1.416851\n0.013619 0.023651 10.586146\nRb Sm P O\n2 2 8 24\ndirect\n0.182079 0.817920 0.750000 Rb\n0.817920 0.182079 0.250000 Rb\n0.878762 0.121237 0.750000 Sm\n0.121237 0.878762 0.250000 Sm\n0.707324 0.367337 0.994750 P\n0.367338 0.707324 0.494750 P\n0.292675 0.632662 0.005250 P\n0.695819 0.736468 0.934935 P\n0.304180 0.263531 0.065066 P\n0.736469 0.695819 0.434935 P\n0.632662 0.292675 0.505251 P\n0.263531 0.304180 0.565066 P\n0.490416 0.634549 0.406490 O\n0.798735 0.745662 0.314799 O\n0.254337 0.201265 0.185201 O\n0.201265 0.254337 0.685201 O\n0.745663 0.798734 0.814800 O\n0.365450 0.509583 0.093510 O\n0.177875 0.686169 0.397404 O\n0.723834 0.472692 0.432125 O\n0.313830 0.822124 0.102597 O\n0.822125 0.313829 0.602597 O\n0.686170 0.177874 0.897404 O\n0.909941 0.509651 0.108549 O\n0.490348 0.090059 0.391451 O\n0.090059 0.490348 0.891451 O\n0.509583 0.365450 0.593510 O\n0.509651 0.909940 0.608549 O\n0.138842 0.150324 0.425446 O\n0.150325 0.138842 0.925446 O\n0.861157 0.849674 0.574554 O\n0.472692 0.723834 0.932126 O\n0.276165 0.527307 0.567875 O\n0.527307 0.276165 0.067875 O\n0.849675 0.861157 0.074554 O\n0.634550 0.490416 0.906491 O\n",
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{
"id": "jvasp-97631",
"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",
"nsites": 36,
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"elements": [
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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-21165",
"created_at": "2022-09-04T14:37:57.510169Z",
"updated_at": "2022-09-04T14:37:57.510189Z",
"structure_string": "Al8 Si4 O16 F8\n1.0\n4.691499 0.000000 0.000000\n-0.000000 8.467216 0.000000\n0.000000 0.000000 8.878159\nAl Si O F\n8 4 16 8\ndirect\n0.096826 0.916951 0.130336 Al\n0.596827 0.083050 0.369665 Al\n0.903174 0.416951 0.869665 Al\n0.403174 0.583050 0.630336 Al\n0.596827 0.416951 0.369665 Al\n0.096826 0.583050 0.130336 Al\n0.403174 0.916951 0.630336 Al\n0.903174 0.083050 0.869665 Al\n0.897695 0.750000 0.439931 Si\n0.397695 0.250000 0.060069 Si\n0.102305 0.250000 0.560069 Si\n0.602305 0.750000 0.939931 Si\n0.295126 0.750000 0.031366 O\n0.795126 0.250000 0.468634 O\n0.704874 0.250000 0.968634 O\n0.204874 0.750000 0.531366 O\n0.789195 0.908063 0.989255 O\n0.289195 0.091938 0.510745 O\n0.210805 0.408063 0.010745 O\n0.710805 0.591938 0.489255 O\n0.289195 0.408063 0.510745 O\n0.041978 0.250000 0.744594 O\n0.958022 0.750000 0.255407 O\n0.210805 0.091938 0.010745 O\n0.710805 0.908063 0.489255 O\n0.789195 0.591938 0.989255 O\n0.458022 0.250000 0.244594 O\n0.541978 0.750000 0.755407 O\n0.096035 0.557673 0.752158 F\n0.096035 0.942328 0.752158 F\n0.596035 0.057672 0.747842 F\n0.596035 0.442328 0.747842 F\n0.403965 0.557673 0.252158 F\n0.903965 0.057672 0.247842 F\n0.403965 0.942328 0.252158 F\n0.903965 0.442328 0.247842 F\n",
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{
"id": "jvasp-59297",
"created_at": "2022-09-04T14:38:02.785879Z",
"updated_at": "2022-09-04T14:38:02.785896Z",
"structure_string": "Sr12 Si4 O20\n1.0\n6.985991 -0.000000 0.000000\n0.000000 6.985991 -0.000000\n-0.000000 -0.000000 10.861424\nSr Si O\n12 4 20\ndirect\n0.000000 0.500000 0.490978 Sr\n0.500000 0.000000 0.009022 Sr\n0.500000 0.000000 0.509022 Sr\n0.000000 0.500000 0.990978 Sr\n0.688633 0.688633 0.250000 Sr\n0.811366 0.188633 0.250000 Sr\n0.188633 0.811366 0.250000 Sr\n0.311367 0.311367 0.250000 Sr\n0.811366 0.811366 0.750000 Sr\n0.688633 0.311367 0.750000 Sr\n0.311367 0.688633 0.750000 Sr\n0.188633 0.188633 0.750000 Sr\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 0.000000 Si\n0.000000 0.000000 0.500000 Si\n0.500000 0.500000 0.500000 Si\n0.902281 0.839861 0.407502 O\n0.597719 0.660139 0.592498 O\n0.160139 0.902281 0.592498 O\n0.339861 0.402281 0.907502 O\n0.839861 0.097719 0.592498 O\n0.902281 0.160139 0.907502 O\n0.097719 0.839861 0.907502 O\n0.339861 0.597719 0.407502 O\n0.097719 0.160139 0.407502 O\n0.500000 0.000000 0.781022 O\n0.160139 0.097719 0.092498 O\n0.660139 0.402281 0.407502 O\n0.597719 0.339861 0.092498 O\n0.402281 0.660139 0.092498 O\n0.000000 0.500000 0.218978 O\n0.500000 0.000000 0.281022 O\n0.402281 0.339861 0.592498 O\n0.000000 0.500000 0.718977 O\n0.839861 0.902281 0.092498 O\n0.660139 0.597719 0.907502 O\n",
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"elements": [
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{
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"created_at": "2022-09-04T14:37:50.677234Z",
"updated_at": "2022-09-04T14:37:50.677254Z",
"structure_string": "K4 Sc2 Si8 O20 F2\n1.0\n7.297586 0.000000 3.759969\n3.648793 7.980217 1.879985\n-0.006265 -0.000000 8.973954\nK Sc Si O F\n4 2 8 20 2\ndirect\n0.681768 0.633978 0.002487 K\n0.684254 -0.002487 0.633978 K\n0.318232 0.366022 -0.002487 K\n0.315746 0.002487 0.366022 K\n0.754553 -0.000000 -0.000000 Sc\n0.245448 -0.000000 -0.000000 Sc\n0.878232 0.302639 0.324090 Si\n0.819128 0.675910 0.302639 Si\n0.504962 0.697361 0.675909 Si\n0.797676 0.324090 0.697360 Si\n0.202323 0.675910 0.302639 Si\n0.495037 0.302639 0.324090 Si\n0.121767 0.697361 0.675909 Si\n0.180871 0.324090 0.697360 Si\n0.588768 0.497245 0.728300 O\n0.682932 0.728300 0.502755 O\n0.086011 0.728300 0.502755 O\n0.683425 0.260699 0.372450 O\n0.730023 0.820363 0.187953 O\n0.550386 0.187954 0.179637 O\n0.261661 0.820363 0.187953 O\n0.082024 0.187954 0.179637 O\n0.316574 0.739301 0.627549 O\n0.317067 0.271700 0.497245 O\n0.738338 0.179637 0.812046 O\n0.055875 0.627550 0.260699 O\n0.269976 0.179637 0.812046 O\n0.411231 0.502755 0.271700 O\n0.185687 0.497245 0.728300 O\n0.917975 0.812047 0.820362 O\n0.913988 0.271700 0.497244 O\n0.449613 0.812047 0.820362 O\n0.944124 0.372450 0.739300 O\n0.814312 0.502755 0.271700 O\n0.000000 0.000000 0.000000 F\n0.500000 -0.000000 -0.000000 F\n",
"nsites": 36,
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"elements": [
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{
"id": "jvasp-5767",
"created_at": "2022-09-04T14:37:42.314349Z",
"updated_at": "2022-09-04T14:37:42.314367Z",
"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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"volume": 799.5810230437825,
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{
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