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{
"id": "jvasp-122442",
"created_at": "2022-09-04T14:38:53.959359Z",
"updated_at": "2022-09-04T14:38:53.959386Z",
"structure_string": "K4 Ag4 Te4 S12\n1.0\n10.680776 0.000000 0.000000\n-0.000000 7.011611 2.045657\n-0.000000 0.008372 8.407767\nK Ag Te S\n4 4 4 12\ndirect\n0.247159 0.486637 0.879395 K\n0.752841 0.513363 0.120606 K\n0.747159 0.513363 0.620606 K\n0.252841 0.486637 0.379395 K\n0.253733 0.913952 0.518094 Ag\n0.746267 0.086048 0.481907 Ag\n0.753733 0.086048 0.981907 Ag\n0.246267 0.913952 0.018094 Ag\n0.010061 0.088775 0.726121 Te\n0.989939 0.911225 0.273880 Te\n0.510061 0.911225 0.773880 Te\n0.489939 0.088775 0.226121 Te\n0.952919 0.289251 0.900729 S\n0.049039 0.722077 0.546940 S\n0.950961 0.277922 0.453061 S\n0.549040 0.277922 0.953061 S\n0.450961 0.722078 0.046940 S\n0.734722 0.854442 0.787389 S\n0.265279 0.145557 0.212611 S\n0.234722 0.145557 0.712612 S\n0.765279 0.854442 0.287389 S\n0.452919 0.710748 0.599272 S\n0.547082 0.289251 0.400729 S\n0.047082 0.710749 0.099272 S\n",
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{
"id": "jvasp-80168",
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"structure_string": "Na1 Li2 Hg1\n1.0\n-10.018769 -0.000000 -5.784339\n-6.543002 0.074457 -0.235866\n-5.555690 2.866998 -1.945941\nNa Li Hg\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.727278 -0.000000 0.000000 Li\n0.272723 -0.000000 0.000000 Li\n0.500000 -0.000000 0.000000 Hg\n",
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{
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"created_at": "2022-09-04T14:37:59.565296Z",
"updated_at": "2022-09-04T14:37:59.565315Z",
"structure_string": "Li1 Mn5 O3 F5\n1.0\n0.012851 4.476962 4.476962\n4.489814 0.000000 4.489814\n4.489814 4.489814 0.000000\nLi Mn O F\n1 5 3 5\ndirect\n0.264117 0.245294 0.245294 Li\n0.951481 0.016173 0.016173 Mn\n0.646564 0.111071 0.621182 Mn\n0.646564 0.621182 0.111071 Mn\n0.105009 0.631663 0.631663 Mn\n0.646564 0.621182 0.621182 Mn\n0.857069 0.405667 0.868631 O\n0.857069 0.868631 0.405667 O\n0.857069 0.868631 0.868631 O\n0.878978 0.373673 0.373673 F\n0.388299 0.380880 0.380880 F\n0.388299 0.849938 0.380880 F\n0.388299 0.380880 0.849938 F\n0.374616 0.875128 0.875128 F\n",
"nsites": 14,
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"formula_full": "Li1 Mn5 O3 F5",
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{
"id": "jvasp-50245",
"created_at": "2022-09-04T14:37:01.527363Z",
"updated_at": "2022-09-04T14:37:01.527382Z",
"structure_string": "Sr2 Ca4 I12\n1.0\n7.462624 -0.000000 0.000000\n-0.000000 7.462624 0.000000\n0.000000 0.000000 14.165207\nSr Ca I\n2 4 12\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.332929 Ca\n0.000000 0.000000 0.667071 Ca\n0.500000 0.500000 0.167071 Ca\n0.500000 0.500000 0.832929 Ca\n0.807549 0.192451 0.500000 I\n0.692450 0.692450 0.000000 I\n0.703616 0.703616 0.673021 I\n0.703616 0.703616 0.326979 I\n0.296384 0.296384 0.673021 I\n0.192451 0.807549 0.500000 I\n0.307549 0.307549 0.000000 I\n0.796384 0.203616 0.173021 I\n0.203616 0.796384 0.826979 I\n0.203616 0.796384 0.173021 I\n0.296384 0.296384 0.326979 I\n0.796384 0.203616 0.826979 I\n",
"nsites": 18,
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{
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"created_at": "2022-09-04T14:37:59.762524Z",
"updated_at": "2022-09-04T14:37:59.762547Z",
"structure_string": "Li4 Ti8 O16\n1.0\n0.000000 8.184204 0.006193\n3.847836 0.000000 0.000000\n0.000000 -0.012549 -8.987240\nLi Ti O\n4 8 16\ndirect\n0.996681 0.750001 0.097950 Li\n0.003318 0.250000 0.902050 Li\n0.250634 0.250000 0.590942 Li\n0.749365 0.750001 0.409059 Li\n0.726748 0.250000 0.129334 Ti\n0.260554 0.250000 0.141536 Ti\n0.491575 0.250000 0.363456 Ti\n0.010700 0.250000 0.360609 Ti\n0.989299 0.750001 0.639392 Ti\n0.739446 0.750001 0.858464 Ti\n0.273252 0.750001 0.870666 Ti\n0.508424 0.750001 0.636544 Ti\n0.008657 0.250000 0.600391 O\n0.751005 0.250000 0.344689 O\n0.248719 0.250000 0.365102 O\n0.991343 0.750001 0.399610 O\n0.509154 0.750001 0.401709 O\n0.490845 0.250000 0.598292 O\n0.751281 0.750001 0.634898 O\n0.755126 0.750001 0.096290 O\n0.001726 0.750001 0.857006 O\n0.502354 0.750001 0.859851 O\n0.760295 0.250000 0.899015 O\n0.244873 0.250000 0.903710 O\n0.998274 0.250000 0.142994 O\n0.239704 0.750001 0.100986 O\n0.248994 0.750001 0.655312 O\n0.497645 0.250000 0.140149 O\n",
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"volume": 283.0211427864136,
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"formula_full": "Li4 Ti8 O16",
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{
"id": "jvasp-102062",
"created_at": "2022-09-04T14:37:02.994891Z",
"updated_at": "2022-09-04T14:37:02.994918Z",
"structure_string": "K2 Tl1 As1 F6\n1.0\n5.686296 -0.000000 3.282985\n1.895432 5.361091 3.282985\n-0.000000 -0.000000 6.565969\nK Tl As F\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.499999 Tl\n0.000000 0.000000 0.000000 As\n0.778130 0.221871 0.221870 F\n0.221871 0.221871 0.778129 F\n0.221871 0.778129 0.778129 F\n0.221871 0.778129 0.221870 F\n0.778130 0.221871 0.778129 F\n0.778130 0.778129 0.221869 F\n",
"nsites": 10,
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"density_atomic": 0.04995955137301745,
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"formula_full": "K2 Tl1 As1 F6",
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{
"id": "jvasp-92571",
"created_at": "2022-09-04T14:35:48.458066Z",
"updated_at": "2022-09-04T14:35:48.458091Z",
"structure_string": "K2 Te2 Pd1\n1.0\n-0.000000 -0.000000 4.036526\n-5.392148 4.289584 2.018262\n-5.392148 -4.289584 2.018262\nK Te Pd\n2 2 1\ndirect\n0.720320 0.279680 0.279680 K\n0.279679 0.720320 0.720320 K\n0.500000 0.204151 0.795849 Te\n0.500000 0.795849 0.204151 Te\n0.000000 0.000000 0.000000 Pd\n",
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],
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{
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"created_at": "2022-09-04T14:35:41.088767Z",
"updated_at": "2022-09-04T14:35:41.088795Z",
"structure_string": "Li2 Be1 Cd1\n1.0\n-2.164892 2.164892 3.064315\n2.164892 -2.164892 3.064315\n2.164892 2.164892 -3.064315\nLi Be Cd\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.250000 0.750000 0.499999 Li\n0.500001 0.500001 0.000000 Be\n0.750000 0.250000 0.499999 Cd\n",
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{
"id": "jvasp-42750",
"created_at": "2022-09-04T14:36:15.980250Z",
"updated_at": "2022-09-04T14:36:15.980280Z",
"structure_string": "Li6 Co6 O5 F11\n1.0\n5.812853 -0.014035 -0.011047\n-2.893951 5.106156 0.021931\n-2.892235 -1.594914 9.801285\nLi Co O F\n6 6 5 11\ndirect\n0.254975 0.628085 0.881984 Li\n0.636535 0.829549 0.443387 Li\n-0.002436 0.501105 0.494116 Li\n0.238170 0.103717 0.372428 Li\n0.627070 0.062693 0.191287 Li\n-0.007509 -0.002551 0.987558 Li\n0.604513 0.521423 0.687746 Co\n0.617697 0.305461 0.929988 Co\n0.596512 0.570450 0.184709 Co\n0.606067 0.081199 0.689285 Co\n0.164300 0.081212 0.689292 Co\n0.158764 0.570451 0.184719 Co\n0.374860 0.187133 0.562752 O\n0.383474 0.692466 0.074420 O\n0.843045 0.417751 0.818571 O\n0.397648 0.974381 0.821007 O\n0.393187 0.417762 0.818583 O\n0.396790 0.199840 0.061184 F\n0.860313 0.927612 0.793125 F\n0.397095 0.700848 0.570979 F\n0.874635 0.700836 0.570998 F\n0.850682 0.924437 0.310976 F\n0.384953 0.924455 0.310990 F\n0.385697 0.446205 0.324992 F\n0.857832 0.660570 0.055045 F\n0.868230 0.446858 0.289462 F\n0.872646 0.176198 0.569231 F\n0.864257 0.199859 0.061176 F\n",
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{
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"created_at": "2022-09-04T14:38:27.465840Z",
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"structure_string": "K2 Rb1 Ta1 I6\n1.0\n7.555812 -0.000000 4.362350\n2.518604 7.123688 4.362350\n-0.000000 -0.000000 8.724700\nK Rb Ta I\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Ta\n0.771151 0.228847 0.228847 I\n0.228848 0.228848 0.771152 I\n0.228848 0.771152 0.771152 I\n0.228848 0.771153 0.228848 I\n0.771151 0.228848 0.771152 I\n0.771152 0.771152 0.228847 I\n",
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{
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"structure_string": "Hf1 Mg6 Cu1\n1.0\n6.426673 0.291335 0.000000\n-2.961034 5.128660 0.000000\n0.000000 0.000000 4.869021\nHf Mg Cu\n1 6 1\ndirect\n0.133363 0.816682 0.250000 Hf\n0.637193 0.319213 0.250000 Mg\n0.637193 0.817982 0.250000 Mg\n0.335975 0.165545 0.750000 Mg\n0.335975 0.670431 0.750000 Mg\n0.886966 0.193485 0.750000 Mg\n0.830742 0.665373 0.750000 Mg\n0.202591 0.351294 0.250000 Cu\n",
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}