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{
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{
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"structure_string": "K8 Sn4 Bi4\n1.0\n6.643310 0.000000 0.000000\n0.000000 6.876954 0.000000\n0.000000 0.000000 13.625140\nK Sn Bi\n8 4 4\ndirect\n0.750000 0.388757 0.666563 K\n0.250000 0.611243 0.333437 K\n0.750000 0.611243 0.166563 K\n0.250000 0.158980 0.511020 K\n0.250000 0.841020 0.011020 K\n0.750000 0.841020 0.488980 K\n0.750000 0.158980 0.988980 K\n0.250000 0.388757 0.833437 K\n0.500000 0.094139 0.250000 Sn\n0.000000 0.094139 0.250000 Sn\n0.000000 0.905861 0.750000 Sn\n0.500000 0.905861 0.750000 Sn\n0.250000 0.339539 0.105611 Bi\n0.250000 0.660461 0.605611 Bi\n0.750000 0.660461 0.894389 Bi\n0.750000 0.339539 0.394389 Bi\n",
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"formula_full": "K8 Sn4 Bi4",
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{
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{
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"created_at": "2022-09-04T14:42:48.533619Z",
"structure_string": "Cs2 La4 Cu2 Se8\n1.0\n2.172186 -7.589348 0.000000\n2.172186 7.589348 0.000000\n0.000000 0.000000 14.890663\nCs La Cu Se\n2 4 2 8\ndirect\n0.894648 0.105352 0.750000 Cs\n0.105352 0.894648 0.250000 Cs\n0.634631 0.365369 0.939039 La\n0.365369 0.634631 0.060961 La\n0.365369 0.634631 0.439039 La\n0.634631 0.365369 0.560961 La\n0.165365 0.834635 0.750000 Cu\n0.834635 0.165365 0.250000 Cu\n0.740961 0.259039 0.388038 Se\n0.259039 0.740961 0.611962 Se\n0.259039 0.740961 0.888038 Se\n0.740961 0.259039 0.111962 Se\n0.579513 0.420487 0.750000 Se\n0.420487 0.579513 0.250000 Se\n0.000000 0.000000 0.000000 Se\n0.000000 0.000000 0.500000 Se\n",
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{
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{
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"created_at": "2022-09-04T14:42:48.543036Z",
"structure_string": "Re8 C12 I16 O12\n1.0\n4.405480 11.330925 0.000000\n-4.405480 11.330925 0.000000\n0.000000 1.361554 12.803688\nRe C I O\n8 12 16 12\ndirect\n0.370969 0.644842 0.835932 Re\n0.004197 0.318844 0.245279 Re\n0.681156 0.995803 0.254721 Re\n0.629031 0.355158 0.164068 Re\n0.995803 0.681156 0.754721 Re\n0.355158 0.629031 0.664068 Re\n0.644842 0.370969 0.335932 Re\n0.318844 0.004197 0.745279 Re\n0.014247 0.451513 0.164129 C\n0.985753 0.548487 0.835871 C\n0.126111 0.216784 0.692911 C\n0.548487 0.985753 0.335871 C\n0.092484 0.317493 0.361642 C\n0.682507 0.907516 0.138358 C\n0.216784 0.126111 0.192911 C\n0.317493 0.092484 0.861642 C\n0.451513 0.014247 0.664129 C\n0.873889 0.783216 0.307089 C\n0.783216 0.873889 0.807089 C\n0.907516 0.682507 0.638358 C\n0.342013 0.853076 0.574956 I\n0.669748 0.380315 0.603913 I\n0.024010 0.870738 0.637686 I\n0.330252 0.619685 0.396087 I\n0.129262 0.975990 0.862314 I\n0.975990 0.129262 0.362314 I\n0.324855 0.424673 0.673017 I\n0.146924 0.657987 0.925044 I\n0.424673 0.324855 0.173017 I\n0.870738 0.024010 0.137686 I\n0.575327 0.675145 0.826983 I\n0.853076 0.342013 0.074956 I\n0.675145 0.575327 0.326983 I\n0.380315 0.669748 0.103913 I\n0.657987 0.146924 0.425044 I\n0.619685 0.330252 0.896087 I\n0.470260 0.975495 0.385747 O\n0.681813 0.854092 0.068413 O\n0.024505 0.529740 0.114253 O\n0.006789 0.346503 0.662216 O\n0.318187 0.145908 0.931587 O\n0.653497 0.993211 0.837784 O\n0.145908 0.318187 0.431587 O\n0.346503 0.006789 0.162216 O\n0.529740 0.024505 0.614253 O\n0.975495 0.470260 0.885747 O\n0.993211 0.653497 0.337784 O\n0.854092 0.681813 0.568413 O\n",
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{
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"structure_string": "Ba1 Nb2 V2 O11\n1.0\n9.774892 -2.828507 0.000000\n9.774892 2.828507 0.000000\n8.956422 0.000000 4.830265\nBa Nb V O\n1 2 2 11\ndirect\n0.000000 0.000000 0.000000 Ba\n0.868879 0.868879 0.868879 Nb\n0.131121 0.131121 0.131121 Nb\n0.599998 0.599998 0.599998 V\n0.400002 0.400002 0.400002 V\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.754753 0.754753 0.237706 O\n0.237706 0.754753 0.754753 O\n0.754753 0.237706 0.754753 O\n0.245247 0.245247 0.762294 O\n0.762294 0.245247 0.245247 O\n0.245247 0.762294 0.245247 O\n0.658102 0.658102 0.658102 O\n0.341898 0.341898 0.341898 O\n",
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{
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"structure_string": "Pr2 Fe2 Se2 O3\n1.0\n-2.057181 2.057181 9.470410\n2.057181 -2.057181 9.470410\n2.057181 2.057181 -9.470410\nPr Fe Se O\n2 2 2 3\ndirect\n0.312569 0.312569 0.000000 Pr\n0.687431 0.687431 0.000000 Pr\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.901353 0.901353 0.000000 Se\n0.098647 0.098647 0.000000 Se\n0.250000 0.750000 0.500000 O\n0.750000 0.250000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
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{
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{
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{
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{
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"structure_string": "Ca4 Fe2 Mo2 O12\n1.0\n5.597192 0.000000 0.000000\n0.000000 5.457611 0.000000\n0.000000 5.384703 7.829265\nCa Fe Mo O\n4 2 2 12\ndirect\n0.947745 0.265947 0.245788 Ca\n0.447745 0.734053 0.254212 Ca\n0.052255 0.734053 0.754212 Ca\n0.552255 0.265947 0.745788 Ca\n0.000000 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.000000 0.000000 Mo\n0.500000 0.000000 0.500000 Mo\n0.705500 0.349033 0.451318 O\n0.205500 0.650967 0.048682 O\n0.294500 0.650967 0.548682 O\n0.794500 0.349033 0.951318 O\n0.785346 0.759508 0.548182 O\n0.285346 0.240492 0.951818 O\n0.214654 0.240492 0.451818 O\n0.714654 0.759508 0.048182 O\n0.529340 0.159909 0.248106 O\n0.029340 0.840091 0.251894 O\n0.970660 0.159909 0.748106 O\n0.470660 0.840091 0.751894 O\n",
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}