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{
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{
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"formula_full": "Mg2 Ni6 P6 O26",
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{
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"structure_string": "U4 Ge2 O20\n1.0\n0.000000 5.772925 9.852251\n4.199923 0.000000 9.852251\n4.199923 5.772925 0.000000\nU Ge O\n4 2 20\ndirect\n0.080886 0.080886 0.419114 U\n0.419114 0.419114 0.080886 U\n0.169114 0.169114 0.830886 U\n0.830886 0.830886 0.169114 U\n0.250000 0.250000 0.250000 Ge\n0.000000 0.000000 0.000000 Ge\n0.965269 0.965269 0.534731 O\n0.534731 0.534731 0.965269 O\n0.284731 0.284731 0.715269 O\n0.715269 0.715269 0.284731 O\n0.346328 0.815391 0.320929 O\n0.320929 0.517352 0.346328 O\n0.903672 0.434609 0.929071 O\n0.929071 0.732648 0.903672 O\n0.517352 0.320929 0.815391 O\n0.815391 0.346328 0.517352 O\n0.732648 0.929071 0.434609 O\n0.434609 0.903672 0.732648 O\n0.078969 0.038742 0.749183 O\n0.749183 0.133106 0.078969 O\n0.171031 0.211258 0.500817 O\n0.500817 0.116894 0.171031 O\n0.133106 0.749183 0.038742 O\n0.038742 0.078969 0.133106 O\n0.116894 0.500817 0.211258 O\n0.211258 0.171031 0.116894 O\n",
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{
"id": "mp-1191975",
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"structure_string": "Sn4 Pb4 O14\n1.0\n0.000000 5.376564 5.376564\n5.376564 0.000000 5.376564\n5.376564 5.376564 0.000000\nSn Pb O\n4 4 14\ndirect\n0.625000 0.125000 0.125000 Sn\n0.125000 0.625000 0.125000 Sn\n0.125000 0.125000 0.625000 Sn\n0.125000 0.125000 0.125000 Sn\n0.125000 0.625000 0.625000 Pb\n0.625000 0.125000 0.625000 Pb\n0.625000 0.625000 0.125000 Pb\n0.625000 0.625000 0.625000 Pb\n0.792938 0.792938 0.207062 O\n0.207062 0.207062 0.792938 O\n0.792938 0.207062 0.792938 O\n0.207062 0.792938 0.207062 O\n0.207062 0.792938 0.792938 O\n0.792938 0.207062 0.207062 O\n0.457062 0.457062 0.042938 O\n0.042938 0.042938 0.457062 O\n0.457062 0.042938 0.457062 O\n0.042938 0.457062 0.042938 O\n0.042938 0.457062 0.457062 O\n0.457062 0.042938 0.042938 O\n0.500000 0.500000 0.500000 O\n0.750000 0.750000 0.750000 O\n",
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"density": 8.160622263836242,
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"formula_full": "Sn4 Pb4 O14",
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"energy": -138.27804037,
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{
"id": "mp-1041415",
"created_at": "2022-09-04T14:46:09.890305Z",
"structure_string": "Zn4 Cu8 Mo8 O32\n1.0\n8.710302 0.000000 0.000000\n0.000000 6.596768 0.000000\n0.000000 0.380813 12.627514\nZn Cu Mo O\n4 8 8 32\ndirect\n0.835459 0.891777 0.052607 Zn\n0.164541 0.108223 0.947393 Zn\n0.335459 0.108223 0.447393 Zn\n0.664541 0.891777 0.552607 Zn\n0.819832 0.231059 0.867246 Cu\n0.946497 0.622342 0.619494 Cu\n0.053503 0.377658 0.380506 Cu\n0.180168 0.768941 0.132754 Cu\n0.680168 0.231059 0.367246 Cu\n0.553503 0.622342 0.119494 Cu\n0.319832 0.768941 0.632754 Cu\n0.446497 0.377658 0.880506 Cu\n0.543312 0.900544 0.845512 Mo\n0.956688 0.900544 0.345512 Mo\n0.917861 0.388740 0.131216 Mo\n0.043312 0.099456 0.654488 Mo\n0.082139 0.611260 0.868784 Mo\n0.417861 0.611260 0.368784 Mo\n0.582139 0.388740 0.631216 Mo\n0.456688 0.099456 0.154488 Mo\n0.766684 0.959533 0.400700 O\n0.987268 0.340853 0.600265 O\n0.423826 0.821297 0.464848 O\n0.923826 0.178703 0.035152 O\n0.733316 0.959533 0.900700 O\n0.233316 0.040467 0.599300 O\n0.896598 0.916326 0.613446 O\n0.103939 0.495326 0.136040 O\n0.396061 0.495326 0.636040 O\n0.129542 0.693632 0.734795 O\n0.629542 0.306368 0.765205 O\n0.896061 0.504674 0.863960 O\n0.103402 0.083674 0.386554 O\n0.456929 0.120791 0.296966 O\n0.709773 0.593696 0.585715 O\n0.790227 0.593696 0.085715 O\n0.956929 0.879209 0.203034 O\n0.603939 0.504674 0.363960 O\n0.543071 0.879209 0.703034 O\n0.576174 0.178703 0.535152 O\n0.512732 0.340853 0.100265 O\n0.870458 0.306368 0.265205 O\n0.266684 0.040467 0.099300 O\n0.603402 0.916326 0.113446 O\n0.076174 0.821297 0.964848 O\n0.209773 0.406304 0.914285 O\n0.012732 0.659147 0.399735 O\n0.487268 0.659147 0.899735 O\n0.396598 0.083674 0.886554 O\n0.290227 0.406304 0.414285 O\n0.370458 0.693632 0.234795 O\n0.043071 0.120791 0.796966 O\n",
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"formula_full": "Zn4 Cu8 Mo8 O32",
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{
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"structure_string": "Na4 Sb4 O24\n1.0\n8.735826 0.000000 0.000000\n0.000000 8.735826 0.000000\n0.000000 0.000000 6.903604\nNa Sb O\n4 4 24\ndirect\n0.250000 0.750000 0.250000 Na\n0.750000 0.250000 0.250000 Na\n0.250000 0.250000 0.750000 Na\n0.750000 0.750000 0.750000 Na\n0.250000 0.750000 0.750000 Sb\n0.750000 0.250000 0.750000 Sb\n0.250000 0.250000 0.250000 Sb\n0.750000 0.750000 0.250000 Sb\n0.227458 0.500859 0.903716 O\n0.772542 0.499141 0.903716 O\n0.727458 0.000859 0.596284 O\n0.272542 0.999141 0.596284 O\n0.499141 0.227458 0.096284 O\n0.500859 0.772542 0.096284 O\n0.999141 0.727458 0.403716 O\n0.000859 0.272542 0.403716 O\n0.499141 0.772542 0.903716 O\n0.500859 0.227458 0.903716 O\n0.999141 0.272542 0.596284 O\n0.000859 0.727458 0.596284 O\n0.227458 0.499141 0.096284 O\n0.772542 0.500859 0.096284 O\n0.727458 0.999141 0.403716 O\n0.272542 0.000859 0.403716 O\n0.342392 0.657608 0.541794 O\n0.657608 0.342392 0.541794 O\n0.842392 0.157608 0.958206 O\n0.157608 0.842392 0.958206 O\n0.342392 0.342392 0.458206 O\n0.657608 0.657608 0.458206 O\n0.842392 0.842392 0.041794 O\n0.157608 0.157608 0.041794 O\n",
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{
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{
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"structure_string": "Na10 Fe4 P4 C4 O28\n1.0\n0.057416 5.289030 0.009297\n0.106586 0.012543 6.628711\n18.014224 0.112605 0.288726\nNa Fe P C O\n10 4 4 4 28\ndirect\n0.775115 0.234361 0.046063 Na\n0.766750 0.227108 0.544844 Na\n0.245096 0.485129 0.134300 Na\n0.246947 0.513500 0.627930 Na\n0.751996 0.486474 0.372711 Na\n0.745785 0.505932 0.867483 Na\n0.751105 0.996616 0.369662 Na\n0.747206 0.978606 0.864465 Na\n0.246123 0.763512 0.462975 Na\n0.242230 0.757193 0.964442 Na\n0.777507 0.764109 0.671384 Fe\n0.216134 0.244465 0.824186 Fe\n0.782640 0.767004 0.173574 Fe\n0.225329 0.244864 0.324661 Fe\n0.706131 0.256674 0.208858 P\n0.715525 0.257914 0.711688 P\n0.279915 0.745133 0.288388 P\n0.283937 0.744335 0.792456 P\n0.727821 0.747335 0.032865 C\n0.727021 0.744016 0.526930 C\n0.277362 0.252922 0.469281 C\n0.278807 0.255217 0.964090 C\n0.316080 0.292443 0.031171 O\n0.303598 0.287927 0.537700 O\n0.950431 0.757104 0.062771 O\n0.947979 0.751106 0.557582 O\n0.534067 0.750514 0.078281 O\n0.526782 0.746773 0.569425 O\n0.773198 0.066110 0.162200 O\n0.762440 0.071072 0.666400 O\n0.789647 0.442715 0.157696 O\n0.781490 0.444891 0.662952 O\n0.120362 0.739888 0.216933 O\n0.143578 0.738530 0.719842 O\n0.418785 0.269377 0.222755 O\n0.430900 0.270991 0.738077 O\n0.568467 0.748220 0.264605 O\n0.575920 0.747376 0.781574 O\n0.847943 0.250799 0.282919 O\n0.869868 0.251401 0.785919 O\n0.229921 0.558253 0.339976 O\n0.211680 0.557148 0.845849 O\n0.219055 0.930238 0.335347 O\n0.204533 0.933219 0.839896 O\n0.475872 0.232152 0.424743 O\n0.467473 0.235241 0.915503 O\n0.052721 0.236275 0.439648 O\n0.051372 0.235575 0.936574 O\n0.707636 0.738079 0.455012 O\n0.702559 0.739246 0.961936 O\n",
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