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{
"id": "jvasp-41277",
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"updated_at": "2022-09-04T14:37:57.813112Z",
"structure_string": "Mg4 Al2 B4 Ir10\n1.0\n9.466933 -0.000000 0.000000\n-0.000000 9.466933 0.000000\n0.000000 -0.000000 2.941330\nMg Al B Ir\n4 2 4 10\ndirect\n0.176334 0.676333 0.000000 Mg\n0.323666 0.176334 0.000000 Mg\n0.676333 0.823666 0.000000 Mg\n0.823666 0.323666 0.000000 Mg\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.000000 Al\n0.626138 0.126138 0.000000 B\n0.873862 0.626138 0.000000 B\n0.126138 0.373862 0.000000 B\n0.373862 0.873862 0.000000 B\n0.786518 0.071326 0.500000 Ir\n0.000000 0.500000 0.500000 Ir\n0.071326 0.213481 0.500000 Ir\n0.213481 0.928674 0.500000 Ir\n0.286519 0.428674 0.500000 Ir\n0.428674 0.713481 0.500000 Ir\n0.500000 0.000000 0.500000 Ir\n0.571326 0.286519 0.500000 Ir\n0.713481 0.571326 0.500000 Ir\n0.928674 0.786518 0.500000 Ir\n",
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{
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"updated_at": "2022-09-04T14:37:58.167129Z",
"structure_string": "Cd4 Sb4 S8 Cl4\n1.0\n3.955727 0.000000 0.000000\n-0.000000 9.587592 0.000000\n0.000000 0.000000 12.573216\nCd Sb S Cl\n4 4 8 4\ndirect\n0.750001 0.000188 0.269140 Cd\n0.250000 0.499812 0.769140 Cd\n0.250000 -0.000188 0.730860 Cd\n0.750001 0.500188 0.230860 Cd\n0.750001 0.812576 0.969930 Sb\n0.750001 0.312576 0.530070 Sb\n0.250000 0.187424 0.030070 Sb\n0.250000 0.687423 0.469930 Sb\n0.750001 0.741238 0.332996 S\n0.250000 0.258762 0.667004 S\n0.250000 0.946881 0.110406 S\n0.250000 0.758762 0.832996 S\n0.750001 0.053119 0.889594 S\n0.250000 0.446881 0.389594 S\n0.750001 0.241238 0.167004 S\n0.750001 0.553119 0.610406 S\n0.750001 0.426241 0.896070 Cl\n0.250000 0.073759 0.396070 Cl\n0.250000 0.573759 0.103930 Cl\n0.750001 0.926241 0.603931 Cl\n",
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{
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"created_at": "2022-09-04T14:37:48.892451Z",
"updated_at": "2022-09-04T14:37:48.892485Z",
"structure_string": "Zr4 Pb4 S12\n1.0\n3.803540 -0.000000 0.000000\n-0.000000 9.113608 0.000000\n0.000000 0.000000 13.947818\nZr Pb S\n4 4 12\ndirect\n0.750000 0.831927 0.951182 Zr\n0.250000 0.168073 0.048818 Zr\n0.750000 0.331927 0.548818 Zr\n0.250000 0.668073 0.451182 Zr\n0.750000 0.484750 0.174584 Pb\n0.750000 0.984750 0.325416 Pb\n0.250000 0.015251 0.674584 Pb\n0.250000 0.515251 0.825416 Pb\n0.250000 0.773182 0.283760 S\n0.750000 0.226818 0.716240 S\n0.250000 0.509005 0.605628 S\n0.750000 0.832198 0.512572 S\n0.250000 0.167802 0.487429 S\n0.750000 0.332198 0.987429 S\n0.250000 0.667802 0.012571 S\n0.750000 0.990996 0.105628 S\n0.250000 0.009005 0.894372 S\n0.750000 0.490995 0.394372 S\n0.750000 0.726819 0.783760 S\n0.250000 0.273182 0.216240 S\n",
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{
"id": "jvasp-56266",
"created_at": "2022-09-04T14:37:35.990047Z",
"updated_at": "2022-09-04T14:37:35.990056Z",
"structure_string": "Ba4 P14 Cl2\n1.0\n0.000000 6.388988 0.003754\n6.843810 0.000000 0.000000\n0.000000 -1.084783 -11.765948\nBa P Cl\n4 14 2\ndirect\n0.230796 0.250000 0.046427 Ba\n0.432614 0.250000 0.652508 Ba\n0.769205 0.750000 0.953573 Ba\n0.567387 0.750000 0.347493 Ba\n0.988936 0.750000 0.549350 P\n0.116688 0.502500 0.806779 P\n0.327426 0.750000 0.592361 P\n0.852881 0.574416 0.686778 P\n0.883313 0.497500 0.193222 P\n0.675837 0.250000 0.220997 P\n0.883313 0.002500 0.193222 P\n0.147120 0.074416 0.313222 P\n0.147120 0.425584 0.313222 P\n0.672575 0.250000 0.407639 P\n0.324164 0.750000 0.779004 P\n0.116688 0.997500 0.806779 P\n0.011064 0.250000 0.450650 P\n0.852881 0.925584 0.686778 P\n0.363509 0.750000 0.088768 Cl\n0.636491 0.250000 0.911233 Cl\n",
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{
"id": "jvasp-119489",
"created_at": "2022-09-04T14:38:51.407319Z",
"updated_at": "2022-09-04T14:38:51.407343Z",
"structure_string": "Na2 Ho2 Ti4 O12\n1.0\n5.291313 -0.000000 0.000000\n0.000000 5.514007 0.000000\n-0.000000 -0.000000 7.586207\nNa Ho Ti O\n2 2 4 12\ndirect\n0.494856 0.714372 0.500000 Na\n0.994855 0.285629 -0.000000 Na\n0.016600 0.177178 0.500000 Ho\n0.516600 0.822823 -0.000000 Ho\n0.511909 0.265309 0.752456 Ti\n0.011909 0.734692 0.252456 Ti\n0.511909 0.265309 0.247544 Ti\n0.011909 0.734692 0.747544 Ti\n0.602601 0.277365 0.500000 O\n0.919421 0.774161 0.500000 O\n0.282826 0.960434 0.708638 O\n0.188525 0.442430 0.303397 O\n0.688525 0.557571 0.196604 O\n0.282826 0.960434 0.291363 O\n0.688525 0.557571 0.803397 O\n0.782826 0.039567 0.208638 O\n0.102601 0.722635 -0.000000 O\n0.188525 0.442430 0.696604 O\n0.782826 0.039567 0.791363 O\n0.419421 0.225839 -0.000000 O\n",
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},
{
"id": "jvasp-119430",
"created_at": "2022-09-04T14:38:51.411208Z",
"updated_at": "2022-09-04T14:38:51.411227Z",
"structure_string": "Ta8 B8 Os4\n1.0\n5.911618 0.000000 0.000000\n0.000000 5.911618 0.000000\n-0.000000 -0.000000 6.910702\nTa B Os\n8 8 4\ndirect\n0.664237 0.813357 0.500000 Ta\n0.335764 0.186644 0.500000 Ta\n0.835764 0.313356 -0.000000 Ta\n0.164237 0.686644 -0.000000 Ta\n0.813357 0.335764 0.500000 Ta\n0.186644 0.664237 0.500000 Ta\n0.313356 0.164237 -0.000000 Ta\n0.686644 0.835764 -0.000000 Ta\n0.613420 0.113420 0.750000 B\n0.386580 0.886580 0.750000 B\n0.113420 0.386580 0.250000 B\n0.886580 0.613420 0.250000 B\n0.613420 0.113420 0.250000 B\n0.113420 0.386580 0.750000 B\n0.386580 0.886580 0.250000 B\n0.886580 0.613420 0.750000 B\n0.500000 0.500000 0.778223 Os\n0.500000 0.500000 0.221776 Os\n0.000000 0.000000 0.721776 Os\n0.000000 0.000000 0.278223 Os\n",
"nsites": 20,
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{
"id": "jvasp-117194",
"created_at": "2022-09-04T14:38:51.432909Z",
"updated_at": "2022-09-04T14:38:51.432929Z",
"structure_string": "Sr3 Ca1 Sn4 O12\n1.0\n8.111483 -0.000000 0.000000\n0.000000 5.712405 -0.001220\n-0.000000 -0.006178 5.782593\nSr Ca Sn O\n3 1 4 12\ndirect\n-0.000000 0.005787 0.963966 Sr\n0.500000 0.508825 0.533714 Sr\n0.500000 0.989966 0.040470 Sr\n-0.000000 0.489312 0.451159 Ca\n0.248084 0.500330 0.997995 Sn\n0.752556 0.999307 0.500528 Sn\n0.751916 0.500330 0.997995 Sn\n0.247444 0.999307 0.500528 Sn\n-0.000000 0.900214 0.518427 O\n-0.000000 0.577279 0.041157 O\n0.197835 0.298233 0.702900 O\n0.792568 0.212094 0.213400 O\n0.707994 0.710707 0.287408 O\n0.802165 0.298233 0.702900 O\n0.292006 0.710707 0.287408 O\n0.711384 0.794694 0.792462 O\n0.500000 0.421411 0.975065 O\n0.207432 0.212094 0.213400 O\n0.288616 0.794694 0.792462 O\n0.500000 0.076481 0.486651 O\n",
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"formula_full": "Sr3 Ca1 Sn4 O12",
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{
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"created_at": "2022-09-04T14:38:51.537545Z",
"updated_at": "2022-09-04T14:38:51.537566Z",
"structure_string": "Sr4 Ho2 Ta2 O12\n1.0\n5.897419 0.000000 0.000000\n-0.000000 4.771094 3.331826\n-0.000000 0.019411 10.093761\nSr Ho Ta O\n4 2 2 12\ndirect\n0.463233 0.242085 0.749673 Sr\n0.536768 0.757914 0.250328 Sr\n0.963233 0.757914 0.750328 Sr\n0.036768 0.242085 0.249673 Sr\n0.000000 0.499999 0.500000 Ho\n0.500000 0.500000 0.000000 Ho\n0.000000 0.000000 0.000000 Ta\n0.500000 -0.000000 0.500000 Ta\n0.802240 0.233895 0.041263 O\n0.197760 0.766104 0.958738 O\n0.775759 0.849631 0.455348 O\n0.224241 0.150368 0.544653 O\n0.275759 0.150368 0.044653 O\n0.976442 0.683184 0.235667 O\n0.476442 0.316815 0.264333 O\n0.523558 0.683184 0.735667 O\n0.697761 0.233895 0.541263 O\n0.023558 0.316815 0.764333 O\n0.724241 0.849631 0.955348 O\n0.302240 0.766104 0.458738 O\n",
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{
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"created_at": "2022-09-04T14:38:48.865660Z",
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"structure_string": "Fe2 P4 O14\n1.0\n6.156157 0.011293 -0.191608\n0.498075 5.562920 -2.414469\n-0.065364 0.192278 6.884040\nFe P O\n2 4 14\ndirect\n0.647213 0.100645 0.213783 Fe\n0.352788 0.899355 0.786217 Fe\n0.384033 0.337869 0.649825 P\n0.615968 0.662130 0.350174 P\n0.136514 0.243009 0.243527 P\n0.863487 0.756990 0.756471 P\n0.661595 0.937527 0.863765 O\n0.946067 0.082038 0.221360 O\n0.590760 0.237511 0.520361 O\n0.813701 0.677296 0.508121 O\n0.386861 0.600605 0.798817 O\n0.338405 0.062473 0.136234 O\n0.053934 0.917962 0.778639 O\n0.186299 0.322703 0.491878 O\n0.664087 0.792352 0.207207 O\n0.093544 0.447110 0.177739 O\n0.906457 0.552891 0.822261 O\n0.613139 0.399396 0.201182 O\n0.335914 0.207648 0.792793 O\n0.409241 0.762489 0.479638 O\n",
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},
{
"id": "jvasp-122115",
"created_at": "2022-09-04T14:38:55.468256Z",
"updated_at": "2022-09-04T14:38:55.468280Z",
"structure_string": "Li2 Mn4 Te2 O12\n1.0\n4.940280 0.183509 -0.139496\n0.070284 5.155005 -0.011589\n0.090950 -0.018758 8.557564\nLi Mn Te O\n2 4 2 12\ndirect\n0.515120 0.498562 0.909154 Li\n0.566488 0.902871 0.198509 Li\n0.505179 0.989278 0.673541 Mn\n0.021724 -0.002899 0.368024 Mn\n0.015539 0.496323 0.779573 Mn\n0.005039 0.503808 0.185299 Mn\n0.514866 0.481601 0.479611 Te\n0.014219 0.005003 0.987392 Te\n0.254796 0.822408 0.823078 O\n0.813059 0.185284 0.191580 O\n0.314437 0.320845 0.660910 O\n0.778723 0.687913 0.028554 O\n0.753742 0.172736 0.835123 O\n0.218849 0.291373 0.328963 O\n0.275097 0.856578 0.515887 O\n0.708419 0.667598 0.667721 O\n0.811636 0.697346 0.338910 O\n0.214203 0.800124 0.205225 O\n0.193365 0.364366 0.000680 O\n0.755096 0.146469 0.516755 O\n",
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{
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"created_at": "2022-09-04T14:38:55.461283Z",
"updated_at": "2022-09-04T14:38:55.461303Z",
"structure_string": "Na2 Ce2 C4 O12\n1.0\n5.174171 -0.000000 0.000000\n0.000000 6.413190 0.000000\n-0.000000 -0.000000 7.094157\nNa Ce C O\n2 2 4 12\ndirect\n-0.000000 0.481164 0.030251 Na\n-0.000000 0.518836 0.530251 Na\n0.500000 0.134329 0.325685 Ce\n0.500000 0.865670 0.825685 Ce\n0.500000 0.586956 0.245192 C\n0.500000 0.413044 0.745192 C\n-0.000000 0.034071 0.996523 C\n-0.000000 0.965929 0.496523 C\n0.780254 0.124031 0.032010 O\n0.219746 0.875969 0.532010 O\n0.780254 0.875969 0.532010 O\n0.219746 0.124031 0.032010 O\n0.713206 0.490870 0.282570 O\n-0.000000 0.854299 0.913563 O\n0.713206 0.509130 0.782570 O\n0.286794 0.490870 0.282570 O\n0.500000 0.229503 0.665628 O\n-0.000000 0.145701 0.413563 O\n0.286794 0.509130 0.782570 O\n0.500000 0.770497 0.165628 O\n",
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{
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"created_at": "2022-09-04T14:38:50.694812Z",
"updated_at": "2022-09-04T14:38:50.694846Z",
"structure_string": "Nd4 Sc4 S12\n1.0\n6.476869 -0.000000 0.000000\n0.000000 7.166921 0.000000\n-0.000000 -0.000000 9.564540\nNd Sc S\n4 4 12\ndirect\n0.537296 0.400835 0.750000 Nd\n0.462704 0.599165 0.250000 Nd\n0.037296 0.099165 0.250000 Nd\n0.962704 0.900835 0.750000 Nd\n-0.000000 0.500000 -0.000000 Sc\n-0.000000 0.500000 0.500000 Sc\n0.500000 0.000000 0.500000 Sc\n0.500000 0.000000 -0.000000 Sc\n0.128429 0.535676 0.750000 S\n0.871571 0.464323 0.250000 S\n0.676201 0.686430 0.938053 S\n0.323799 0.313570 0.438053 S\n0.176201 0.813570 0.438053 S\n0.176201 0.813570 0.061947 S\n0.676201 0.686430 0.561947 S\n0.323799 0.313570 0.061947 S\n0.371571 0.035676 0.750000 S\n0.823799 0.186430 0.561947 S\n0.823799 0.186430 0.938053 S\n0.628429 0.964323 0.250000 S\n",
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}
]
}