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{
"id": "jvasp-58628",
"created_at": "2022-09-04T14:37:34.935948Z",
"updated_at": "2022-09-04T14:37:34.935983Z",
"structure_string": "Pr2 Sb4 O12\n1.0\n-0.000000 5.573347 -0.000093\n8.040984 -0.000001 -0.000001\n0.000000 -0.000067 -5.818873\nPr Sb O\n2 4 12\ndirect\n0.983119 0.500000 0.069311 Pr\n0.483119 0.000000 0.430685 Pr\n0.995288 0.748830 0.515330 Sb\n0.995288 0.251169 0.515330 Sb\n0.495284 0.248829 0.984659 Sb\n0.495284 0.751170 0.984659 Sb\n0.219263 0.784168 0.222915 O\n0.303467 0.199784 0.695156 O\n0.303467 0.800215 0.695156 O\n0.403162 0.500000 0.980191 O\n0.567190 0.000000 0.018722 O\n0.803483 0.300214 0.804830 O\n0.719279 0.284166 0.277107 O\n0.219263 0.215831 0.222915 O\n0.803483 0.699786 0.804830 O\n0.903158 0.000000 0.519810 O\n0.719279 0.715834 0.277107 O\n0.067202 0.500000 0.481270 O\n",
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{
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"structure_string": "K2 Mn1 F6\n1.0\n4.954873 0.000000 2.860697\n1.651624 4.671500 2.860697\n0.000000 0.000000 5.721396\nK Mn F\n2 1 6\ndirect\n0.749999 0.750000 0.750002 K\n0.250000 0.250000 0.250001 K\n0.000000 0.000000 0.000000 Mn\n0.226144 0.773855 0.773857 F\n0.226144 0.773855 0.226146 F\n0.773854 0.226145 0.773857 F\n0.773854 0.226145 0.226146 F\n0.773854 0.773855 0.226146 F\n0.226145 0.226145 0.773856 F\n",
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{
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"created_at": "2022-09-04T14:37:42.216488Z",
"updated_at": "2022-09-04T14:37:42.216508Z",
"structure_string": "Ta4 Cr2 O12\n1.0\n4.741839 -0.000000 0.000000\n-0.000000 4.741839 0.000000\n0.000000 0.000000 9.182370\nTa Cr O\n4 2 12\ndirect\n0.500000 0.500000 0.165177 Ta\n0.000000 0.000000 0.665177 Ta\n0.500000 0.500000 0.834823 Ta\n0.000000 0.000000 0.334823 Ta\n0.500000 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.198359 0.801641 0.500000 O\n0.301641 0.301641 0.000000 O\n0.699184 0.699184 0.669038 O\n0.300817 0.300817 0.669038 O\n0.699184 0.699184 0.330962 O\n0.800817 0.199183 0.830962 O\n0.800817 0.199183 0.169038 O\n0.801641 0.198359 0.500000 O\n0.199183 0.800817 0.830962 O\n0.300817 0.300817 0.330962 O\n0.199183 0.800817 0.169038 O\n0.698360 0.698360 0.000000 O\n",
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"density": 8.201734540734737,
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"formula_full": "Ta4 Cr2 O12",
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{
"id": "jvasp-21974",
"created_at": "2022-09-04T14:37:35.047339Z",
"updated_at": "2022-09-04T14:37:35.047363Z",
"structure_string": "Rb2 Th1 F6\n1.0\n3.423156 -5.929081 0.000000\n3.423156 5.929081 -0.000000\n0.000000 0.000000 3.839451\nRb Th F\n2 1 6\ndirect\n0.333334 0.666668 0.500000 Rb\n0.666668 0.333334 0.500000 Rb\n0.000000 0.000000 0.000000 Th\n0.000000 0.221375 0.500000 F\n0.778626 0.778626 0.500000 F\n0.221375 0.000000 0.500000 F\n0.662507 0.000000 0.000000 F\n0.337494 0.337494 0.000000 F\n0.000000 0.662507 0.000000 F\n",
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{
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"created_at": "2022-09-04T14:37:34.166922Z",
"updated_at": "2022-09-04T14:37:34.166950Z",
"structure_string": "Rb2 U1 Br6\n1.0\n6.657007 -0.000000 3.843425\n2.219003 6.276287 3.843425\n0.000000 -0.000000 7.686850\nRb U Br\n2 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.749999 Rb\n0.000000 0.000000 0.000000 U\n0.254653 0.745347 0.745346 Br\n0.745347 0.254654 0.254653 Br\n0.745347 0.254654 0.745346 Br\n0.254653 0.745347 0.254653 Br\n0.254653 0.254654 0.745346 Br\n0.745347 0.745347 0.254652 Br\n",
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{
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"created_at": "2022-09-04T14:38:02.283193Z",
"updated_at": "2022-09-04T14:38:02.283223Z",
"structure_string": "Li4 V2 F12\n1.0\n5.287685 -0.022254 -0.005062\n2.515056 4.651300 0.005062\n0.008118 -0.013685 8.312963\nLi V F\n4 2 12\ndirect\n0.044925 0.044937 0.977411 Li\n0.273769 0.273781 0.429144 Li\n0.726219 0.726232 0.929144 Li\n0.955063 0.955076 0.477411 Li\n0.379381 0.379408 0.764686 V\n0.620593 0.620620 0.264686 V\n0.874905 0.353316 0.414206 F\n0.402763 0.865408 0.097292 F\n0.646685 0.125095 0.914206 F\n0.418686 0.418722 0.264565 F\n0.581279 0.581315 0.764565 F\n0.125114 0.646678 0.914252 F\n0.597187 0.134676 0.597247 F\n0.865324 0.402813 0.097247 F\n0.134593 0.597238 0.597291 F\n0.176830 0.176845 0.791197 F\n0.353323 0.874887 0.414252 F\n0.823156 0.823171 0.291197 F\n",
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"formula_full": "Li4 V2 F12",
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{
"id": "jvasp-25615",
"created_at": "2022-09-04T14:37:50.423664Z",
"updated_at": "2022-09-04T14:37:50.423692Z",
"structure_string": "Sc6 Te3 O18\n1.0\n4.417647 -7.651591 -0.000000\n4.417647 7.651591 0.000000\n0.000000 -0.000000 4.827785\nSc Te O\n6 3 18\ndirect\n0.000000 0.293474 0.500000 Sc\n0.000000 0.629151 0.000000 Sc\n0.293474 0.000000 0.500000 Sc\n0.370849 0.370849 0.000000 Sc\n0.629151 0.000000 0.000000 Sc\n0.706526 0.706526 0.500000 Sc\n0.666667 0.333333 0.497865 Te\n0.333333 0.666667 0.502134 Te\n0.000000 0.000000 0.000000 Te\n0.580197 0.457127 0.272399 O\n0.120720 0.211011 0.779281 O\n0.090292 0.879280 0.779281 O\n0.788990 0.909709 0.779281 O\n0.211011 0.120720 0.220718 O\n0.879280 0.090292 0.220718 O\n0.767716 0.222482 0.722805 O\n0.876930 0.419804 0.272399 O\n0.222482 0.767716 0.277194 O\n0.457127 0.580197 0.727600 O\n0.545234 0.777519 0.277194 O\n0.123070 0.542874 0.727600 O\n0.777519 0.545234 0.722805 O\n0.232285 0.454767 0.277194 O\n0.419804 0.876930 0.727600 O\n0.909709 0.788990 0.220718 O\n0.542874 0.123070 0.272399 O\n0.454767 0.232285 0.722805 O\n",
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{
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"created_at": "2022-09-04T14:37:50.595257Z",
"updated_at": "2022-09-04T14:37:50.595284Z",
"structure_string": "Pd2 Se4 Cl12\n1.0\n6.995268 -0.005695 -1.119019\n-0.600031 7.381872 -3.788509\n-0.027647 0.066875 9.268208\nPd Se Cl\n2 4 12\ndirect\n0.250000 0.174135 0.000000 Pd\n0.750000 0.825865 -0.000000 Pd\n0.447492 0.070036 0.787885 Se\n0.052508 0.282151 0.212115 Se\n0.552508 0.929964 0.212115 Se\n0.947492 0.717849 0.787885 Se\n0.245500 0.370956 0.448637 Cl\n0.254500 0.922319 0.551363 Cl\n0.053897 0.911601 0.164575 Cl\n0.985276 0.451056 0.784967 Cl\n0.553898 0.252974 0.164575 Cl\n0.745500 0.077681 0.448637 Cl\n0.754500 0.629044 0.551363 Cl\n0.485276 0.333911 0.784967 Cl\n0.014724 0.548944 0.215033 Cl\n0.514724 0.666089 0.215033 Cl\n0.946102 0.088399 0.835425 Cl\n0.446102 0.747026 0.835425 Cl\n",
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"structure_string": "Ti2 Cd1 O6\n1.0\n-0.000089 0.000154 -4.539476\n-2.609460 -4.519611 0.000099\n-2.609367 4.519557 -0.000197\nTi Cd O\n2 1 6\ndirect\n0.500001 0.666662 0.333331 Ti\n0.500001 0.333339 0.666670 Ti\n0.000000 0.000000 0.000000 Cd\n0.273314 0.362779 0.362787 O\n0.273313 0.637222 0.000008 O\n0.273297 0.000000 0.637206 O\n0.726688 0.637222 0.637214 O\n0.726687 0.362779 -0.000008 O\n0.726705 0.000001 0.362795 O\n",
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{
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"structure_string": "V1 C2 O6\n1.0\n2.378031 1.058558 -3.980518\n-0.000001 4.195017 3.956953\n2.378029 -1.058560 3.980520\nV C O\n1 2 6\ndirect\n0.500001 0.500000 0.500000 V\n0.237864 0.713590 0.762136 C\n0.762137 0.286411 0.237863 C\n0.056115 0.284544 0.294274 O\n0.477297 0.715457 0.056114 O\n0.294275 0.715457 0.522703 O\n0.705726 0.284544 0.477296 O\n0.522704 0.284544 0.943885 O\n0.943886 0.715457 0.705725 O\n",
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{
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"structure_string": "Li2 Sn1 F6\n1.0\n4.962890 -0.000000 0.000000\n-2.481445 4.297989 0.000000\n-0.000000 -0.000000 4.587861\nLi Sn F\n2 1 6\ndirect\n0.666667 0.333333 0.500000 Li\n0.333334 0.666667 0.500000 Li\n0.000000 0.000000 0.000000 Sn\n0.329206 0.329206 0.254326 F\n0.670795 0.670795 0.745674 F\n0.670795 0.000000 0.254326 F\n0.329205 0.000000 0.745674 F\n0.000001 0.670795 0.254326 F\n0.000000 0.329206 0.745674 F\n",
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{
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"created_at": "2022-09-04T14:37:58.624359Z",
"updated_at": "2022-09-04T14:37:58.624381Z",
"structure_string": "Ba2 Nb4 O12\n1.0\n3.979497 0.000000 0.000000\n0.000000 6.227361 -0.000000\n0.000000 0.000000 10.628060\nBa Nb O\n2 4 12\ndirect\n0.000000 0.315204 0.750000 Ba\n0.000000 0.684795 0.250000 Ba\n0.500000 0.214491 0.078293 Nb\n0.500000 0.214491 0.421707 Nb\n0.500000 0.785509 0.578293 Nb\n0.500000 0.785509 0.921706 Nb\n0.500000 0.105626 0.891635 O\n0.500000 0.500000 0.000000 O\n0.500000 0.350186 0.250000 O\n0.000000 0.782170 0.913302 O\n0.000000 0.782170 0.586698 O\n0.500000 0.894374 0.108365 O\n0.000000 0.217830 0.086698 O\n0.500000 0.649814 0.750000 O\n0.500000 0.894374 0.391635 O\n0.000000 0.217830 0.413302 O\n0.500000 0.105626 0.608365 O\n0.500000 0.500000 0.500000 O\n",
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]
}