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{
"id": "jvasp-116804",
"created_at": "2022-09-04T14:38:44.885411Z",
"updated_at": "2022-09-04T14:38:44.885444Z",
"structure_string": "K6 Mo4 Br2 O14\n1.0\n5.960996 0.000000 0.000000\n-2.980498 5.162374 0.000000\n-0.000000 -0.000000 15.671561\nK Mo Br O\n6 4 2 14\ndirect\n0.666667 0.333333 0.457975 K\n0.333333 0.666666 0.542025 K\n0.333333 0.666666 0.957975 K\n0.666667 0.333333 0.750000 K\n0.666667 0.333333 0.042025 K\n0.333333 0.666666 0.250000 K\n0.000000 0.000000 0.870219 Mo\n0.000000 0.000000 0.629781 Mo\n0.000000 0.000000 0.370219 Mo\n0.000000 0.000000 0.129781 Mo\n0.666667 0.333333 0.250000 Br\n0.333333 0.666666 0.750000 Br\n0.317280 0.158641 0.908962 O\n0.841359 0.682719 0.591037 O\n0.158641 0.317280 0.091038 O\n0.000000 0.000000 0.750000 O\n0.682720 0.841359 0.091038 O\n0.682720 0.841359 0.408962 O\n0.841360 0.158641 0.591037 O\n0.158640 0.841359 0.091038 O\n0.158641 0.317280 0.408962 O\n0.841359 0.682719 0.908962 O\n0.158640 0.841359 0.408962 O\n0.000000 0.000000 0.250000 O\n0.317280 0.158641 0.591037 O\n0.841360 0.158641 0.908962 O\n",
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{
"id": "jvasp-88224",
"created_at": "2022-09-04T14:36:21.236031Z",
"updated_at": "2022-09-04T14:36:21.236068Z",
"structure_string": "Rb2 Ti4 P6 O24\n1.0\n7.466374 -0.011972 5.540864\n2.781389 6.928981 5.540864\n-0.017737 -0.011972 9.297720\nRb Ti P O\n2 4 6 24\ndirect\n0.000000 0.000000 0.000000 Rb\n0.499999 0.500000 0.500000 Rb\n0.349157 0.349158 0.349158 Ti\n0.849157 0.849158 0.849157 Ti\n0.650842 0.650843 0.650842 Ti\n0.150842 0.150842 0.150842 Ti\n0.971158 0.528842 0.250000 P\n0.250000 0.971159 0.528841 P\n0.528841 0.250000 0.971159 P\n0.749999 0.028842 0.471159 P\n0.471158 0.750000 0.028841 P\n0.028841 0.471159 0.750000 P\n0.429633 0.567566 0.196521 O\n0.070366 0.303479 0.932434 O\n0.303479 0.932435 0.070366 O\n0.932434 0.070367 0.303479 O\n0.567565 0.196522 0.429633 O\n0.196521 0.429634 0.567565 O\n0.845345 0.486942 0.766322 O\n0.067565 0.929633 0.696521 O\n0.486941 0.766322 0.845346 O\n0.766321 0.845346 0.486941 O\n0.733677 0.013059 0.654654 O\n0.013058 0.654654 0.733678 O\n0.654654 0.733678 0.013058 O\n0.154654 0.513058 0.233678 O\n0.696520 0.067566 0.929633 O\n0.513058 0.233678 0.154654 O\n0.266322 0.986942 0.345345 O\n0.986941 0.345346 0.266322 O\n0.345345 0.266322 0.986942 O\n0.570366 0.432435 0.803478 O\n0.803478 0.570367 0.432434 O\n0.432434 0.803479 0.570366 O\n0.233678 0.154654 0.513058 O\n0.929633 0.696522 0.067565 O\n",
"nsites": 36,
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{
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"created_at": "2022-09-04T14:37:37.947679Z",
"updated_at": "2022-09-04T14:37:37.947699Z",
"structure_string": "Sc16 O24\n1.0\n8.067874 -0.000000 -2.852425\n-4.033937 6.986984 -2.852425\n0.000000 0.000000 8.557273\nSc O\n16 24\ndirect\n0.249999 0.714217 0.464218 Sc\n0.499999 0.500000 0.500000 Sc\n-0.000000 -0.000000 0.500000 Sc\n0.500000 0.000000 0.000000 Sc\n-0.000000 0.500000 0.000000 Sc\n0.250000 0.214217 0.964217 Sc\n0.535782 0.750000 0.285783 Sc\n0.285782 0.535782 0.750000 Sc\n0.964217 0.250000 0.214218 Sc\n0.749999 0.285782 0.535783 Sc\n0.749999 0.785782 0.035783 Sc\n0.714217 0.464217 0.250000 Sc\n0.464217 0.250000 0.714218 Sc\n0.785782 0.035782 0.750000 Sc\n0.214217 0.964217 0.250000 Sc\n0.035782 0.750000 0.785782 Sc\n0.227215 0.453588 0.464462 O\n0.035538 0.489125 0.762753 O\n0.226372 0.272784 0.737247 O\n0.273627 0.010874 0.046412 O\n0.535537 0.772784 0.546412 O\n0.272784 0.737247 0.226373 O\n0.989125 0.953588 0.726373 O\n0.262752 0.773627 0.727216 O\n0.510874 0.237247 0.964462 O\n0.953587 0.726372 0.989126 O\n0.727215 0.262753 0.773627 O\n0.237246 0.964461 0.510874 O\n0.546411 0.535538 0.772784 O\n0.762753 0.035538 0.489126 O\n0.772784 0.546411 0.535538 O\n0.773626 0.727215 0.262753 O\n0.964461 0.510874 0.237247 O\n0.464461 0.227216 0.453588 O\n0.010874 0.046412 0.273627 O\n0.737247 0.226373 0.272785 O\n0.489125 0.762753 0.035539 O\n0.046411 0.273627 0.010874 O\n0.726372 0.989125 0.953588 O\n0.453588 0.464461 0.227216 O\n",
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{
"id": "jvasp-62476",
"created_at": "2022-09-04T14:36:16.005500Z",
"updated_at": "2022-09-04T14:36:16.005526Z",
"structure_string": "Dy6 Al2 Ni2 S14\n1.0\n0.000000 9.490284 0.000299\n6.185334 0.000000 0.000000\n0.000000 -4.744843 -8.218912\nDy Al Ni S\n6 2 2 14\ndirect\n0.623816 0.228455 0.783519 Dy\n0.216480 0.228458 0.840294 Dy\n0.159710 0.228453 0.376189 Dy\n0.376184 0.728455 0.216481 Dy\n0.783520 0.728458 0.159706 Dy\n0.840290 0.728453 0.623810 Dy\n0.333332 0.656052 0.666669 Al\n0.666668 0.156053 0.333330 Al\n0.000001 0.055917 -0.000001 Ni\n-0.000001 0.555916 0.000001 Ni\n0.563019 0.002031 0.476365 S\n0.913340 0.002029 0.436977 S\n0.523636 0.002028 0.086659 S\n0.436981 0.502030 0.523634 S\n0.086660 0.502029 0.563022 S\n0.476364 0.502028 0.913341 S\n0.130875 0.820655 0.897060 S\n0.869125 0.320655 0.102940 S\n0.233814 0.320657 0.130874 S\n0.102937 0.820657 0.233815 S\n0.333335 0.017607 0.666667 S\n0.766186 0.820657 0.869126 S\n0.897062 0.320657 0.766185 S\n0.666665 0.517606 0.333333 S\n",
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{
"id": "jvasp-59828",
"created_at": "2022-09-04T14:38:35.943637Z",
"updated_at": "2022-09-04T14:38:35.943651Z",
"structure_string": "Zn4 Ni4 P8 O28\n1.0\n0.000000 6.996563 0.028727\n8.352937 0.000000 0.000000\n0.000000 -3.608204 -8.270894\nZn Ni P O\n4 4 8 28\ndirect\n0.699789 0.945419 0.822884 Zn\n0.300211 0.445418 0.677115 Zn\n0.699788 0.554582 0.322885 Zn\n0.300211 0.054582 0.177115 Zn\n0.228587 0.074786 0.610022 Ni\n0.771412 0.925214 0.389977 Ni\n0.771413 0.574786 0.889977 Ni\n0.228587 0.425214 0.110022 Ni\n0.942557 0.269070 0.761912 P\n0.472559 0.728401 0.532293 P\n0.942557 0.230930 0.261912 P\n0.472559 0.771599 0.032294 P\n0.057443 0.769070 0.738087 P\n0.527441 0.228401 0.967706 P\n0.057442 0.730930 0.238087 P\n0.527440 0.271599 0.467706 P\n0.898337 0.112877 0.825361 O\n0.118778 0.240132 0.201072 O\n0.521950 0.908930 0.155961 O\n0.369188 0.236084 0.046572 O\n0.630811 0.763916 0.953427 O\n0.478050 0.408930 0.344039 O\n0.521950 0.591071 0.655960 O\n0.898337 0.387123 0.325361 O\n0.881222 0.740132 0.298928 O\n0.553354 0.108988 0.398954 O\n0.019340 0.589989 0.119628 O\n0.446645 0.891012 0.601046 O\n0.744932 0.326132 0.603996 O\n0.980659 0.089989 0.380372 O\n0.881222 0.759868 0.798927 O\n0.980659 0.410011 0.880372 O\n0.019341 0.910011 0.619627 O\n0.369189 0.263916 0.546572 O\n0.478050 0.091071 0.844039 O\n0.446645 0.608988 0.101046 O\n0.630811 0.736084 0.453427 O\n0.255068 0.826132 0.896003 O\n0.553355 0.391012 0.898953 O\n0.101663 0.887124 0.174639 O\n0.101663 0.612877 0.674638 O\n0.744932 0.173869 0.103996 O\n0.118778 0.259868 0.701072 O\n0.255068 0.673869 0.396004 O\n",
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{
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"created_at": "2022-09-04T14:38:48.471855Z",
"updated_at": "2022-09-04T14:38:48.471888Z",
"structure_string": "Y4 Al18 Pd6\n1.0\n7.642219 0.006503 0.000000\n-3.779164 6.642400 0.000000\n0.000000 0.000000 9.501399\nY Al Pd\n4 18 6\ndirect\n0.994135 0.669466 0.250000 Y\n0.005865 0.330533 0.750000 Y\n0.669467 0.994135 0.250000 Y\n0.330533 0.005865 0.750000 Y\n0.454261 0.662968 0.750000 Al\n0.545739 0.337031 0.250000 Al\n0.662968 0.454261 0.750000 Al\n0.337032 0.545739 0.250000 Al\n0.333524 0.333524 0.939704 Al\n0.666477 0.666476 0.060296 Al\n0.666477 0.666476 0.439704 Al\n0.333524 0.333524 0.560296 Al\n0.334676 0.000771 0.074904 Al\n0.665325 0.999229 0.574904 Al\n0.000771 0.334676 0.425096 Al\n0.334676 0.000771 0.425096 Al\n0.999229 0.665324 0.574904 Al\n0.999229 0.665324 0.925096 Al\n0.000771 0.334676 0.074904 Al\n0.870481 0.870480 0.750000 Al\n0.129520 0.129520 0.250000 Al\n0.665325 0.999229 0.925096 Al\n0.000000 0.000000 0.000000 Pd\n0.671424 0.328576 -0.000000 Pd\n0.328576 0.671424 -0.000000 Pd\n0.328576 0.671424 0.500000 Pd\n0.671424 0.328576 0.500000 Pd\n0.000000 0.000000 0.500000 Pd\n",
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{
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"created_at": "2022-09-04T14:35:53.678863Z",
"updated_at": "2022-09-04T14:35:53.678891Z",
"structure_string": "Sr4 Mg4\n1.0\n7.843961 0.000000 0.000000\n0.000000 7.843961 -0.000000\n-0.000000 0.000000 7.843961\nSr Mg\n4 4\ndirect\n0.250000 0.250000 0.750000 Sr\n0.250000 0.750000 0.250000 Sr\n0.750000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n",
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{
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"structure_string": "Sr4 Ta8 O24\n1.0\n5.649791 -0.000000 0.000000\n-0.000000 7.682876 0.000000\n0.000000 0.000000 11.119371\nSr Ta O\n4 8 24\ndirect\n0.961594 0.750000 0.460697 Sr\n0.461594 0.250000 0.039303 Sr\n0.038406 0.250000 0.539303 Sr\n0.538406 0.750000 0.960697 Sr\n0.463514 0.004329 0.357385 Ta\n0.036485 0.495672 0.857385 Ta\n0.536485 0.504329 0.642615 Ta\n0.963514 0.995672 0.142615 Ta\n0.536485 0.995672 0.642615 Ta\n0.963514 0.504329 0.142615 Ta\n0.463514 0.495672 0.357385 Ta\n0.036485 0.004329 0.857385 Ta\n0.638991 0.449333 0.212839 O\n0.281306 0.535145 0.524524 O\n0.781306 0.464855 0.975476 O\n0.138991 0.949334 0.287161 O\n0.638991 0.050667 0.212839 O\n0.861009 0.449333 0.712839 O\n0.361009 0.550667 0.787161 O\n0.861009 0.050667 0.712839 O\n0.361009 0.949334 0.787161 O\n0.138991 0.550667 0.287161 O\n0.218694 0.535145 0.024524 O\n0.467111 0.250000 0.646661 O\n0.781306 0.035145 0.975476 O\n0.281306 0.964855 0.524524 O\n0.532888 0.750000 0.353339 O\n0.032889 0.250000 0.146661 O\n0.218694 0.964855 0.024524 O\n0.967111 0.750000 0.853339 O\n0.357801 0.250000 0.370565 O\n0.857801 0.750000 0.129435 O\n0.642199 0.750000 0.629435 O\n0.142199 0.250000 0.870565 O\n0.718694 0.464855 0.475476 O\n0.718694 0.035145 0.475476 O\n",
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{
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"created_at": "2022-09-04T14:35:54.300910Z",
"updated_at": "2022-09-04T14:35:54.300930Z",
"structure_string": "Pr6 Si4 Cl6 O14\n1.0\n5.328621 -0.085728 0.000000\n-2.687042 7.502149 0.000000\n0.000000 0.000000 12.144017\nPr Si Cl O\n6 4 6 14\ndirect\n0.325499 0.530769 0.895847 Pr\n0.610651 0.081594 0.877086 Pr\n0.389349 0.918406 0.377086 Pr\n0.144089 0.202719 0.620049 Pr\n0.855911 0.797281 0.120049 Pr\n0.674501 0.469231 0.395847 Pr\n0.930870 0.818641 0.822855 Si\n0.276708 0.563662 0.210507 Si\n0.069130 0.181358 0.322855 Si\n0.723293 0.436338 0.710508 Si\n0.127167 0.168139 0.993436 Cl\n0.787413 0.442771 0.996652 Cl\n0.481569 0.992311 0.619032 Cl\n0.872833 0.831861 0.493436 Cl\n0.212587 0.557228 0.496652 Cl\n0.518431 0.007689 0.119031 Cl\n0.219020 0.807720 0.859990 O\n0.724404 0.804704 0.927114 O\n0.750990 0.639990 0.750447 O\n0.022032 0.619124 0.248593 O\n0.249010 0.360009 0.250446 O\n0.457758 0.306445 0.780132 O\n0.542243 0.693555 0.280132 O\n0.780980 0.192279 0.359990 O\n0.977968 0.380875 0.748594 O\n0.275596 0.195296 0.427114 O\n0.370443 0.599417 0.083846 O\n0.941796 0.001983 0.762437 O\n0.058204 -0.001983 0.262437 O\n0.629557 0.400582 0.583846 O\n",
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{
"id": "jvasp-86219",
"created_at": "2022-09-04T14:35:51.511008Z",
"updated_at": "2022-09-04T14:35:51.511023Z",
"structure_string": "K4 Os2 N2 Cl10\n1.0\n8.204728 0.000000 0.000000\n0.000000 7.441099 -2.194697\n0.000000 0.581057 7.736215\nK Os N Cl\n4 2 2 10\ndirect\n0.874545 0.562503 0.437497 K\n0.561549 0.095502 0.904498 K\n0.374545 0.437497 0.562503 K\n0.061549 0.904499 0.095501 K\n0.521467 0.765085 0.234915 Os\n0.021467 0.234916 0.765084 Os\n0.214635 0.192232 0.807768 N\n0.714635 0.807769 0.192231 N\n0.915044 0.945463 0.721484 Cl\n0.548878 0.455142 0.204899 Cl\n0.213963 0.679597 0.320403 Cl\n0.415044 0.721485 0.945462 Cl\n0.713964 0.320404 0.679596 Cl\n0.548878 0.795101 0.544858 Cl\n0.415044 0.054537 0.278515 Cl\n0.048878 0.204900 0.455141 Cl\n0.048878 0.544859 0.795100 Cl\n0.915044 0.278515 0.054537 Cl\n",
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{
"id": "jvasp-86821",
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}