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{
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"formula_full": "Na8 Si4 S24 O84",
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},
{
"id": "mp-1025946",
"created_at": "2022-09-04T14:47:12.455271Z",
"structure_string": "Mo2 W1 Se4 S2\n1.0\n1.639536 -2.839760 0.000000\n1.639536 2.839760 0.000000\n0.000000 0.000000 30.187537\nMo W Se S\n2 1 4 2\ndirect\n0.000000 0.000000 0.115629 Mo\n0.333333 0.666667 0.346973 Mo\n0.000000 0.000000 0.578357 W\n0.000000 0.000000 0.402846 Se\n0.333333 0.666667 0.522092 Se\n0.333333 0.666667 0.634596 Se\n0.000000 0.000000 0.291063 Se\n0.333333 0.666667 0.064747 S\n0.333333 0.666667 0.166539 S\n",
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"formula_full": "Mo2 W1 Se4 S2",
"formula_reduced": "Mo2W(Se2S)2",
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"updated_at": "2021-11-28T01:38:00.344000Z",
"spacegroup": 156
},
{
"id": "mp-554758",
"created_at": "2022-09-04T14:46:12.543456Z",
"structure_string": "Si2 P4 O14\n1.0\n2.403198 -4.162461 0.000000\n2.403198 4.162461 0.000000\n0.000000 0.000000 12.106297\nSi P O\n2 4 14\ndirect\n0.000000 0.000000 0.000000 Si\n0.000000 0.000000 0.500000 Si\n0.333333 0.666667 0.880052 P\n0.666667 0.333333 0.119948 P\n0.666667 0.333333 0.380052 P\n0.333333 0.666667 0.619948 P\n0.925754 0.255572 0.086353 O\n0.744428 0.670182 0.086353 O\n0.074246 0.744428 0.586353 O\n0.255572 0.329818 0.913647 O\n0.333333 0.666667 0.750000 O\n0.670182 0.925754 0.586353 O\n0.744428 0.670182 0.413647 O\n0.670182 0.925754 0.913647 O\n0.329818 0.074246 0.086353 O\n0.255572 0.329818 0.586353 O\n0.925754 0.255572 0.413647 O\n0.329818 0.074246 0.413647 O\n0.074246 0.744428 0.913647 O\n0.666667 0.333333 0.250000 O\n",
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},
{
"id": "mp-1192369",
"created_at": "2022-09-04T14:46:08.958001Z",
"structure_string": "Ba2 Y2 Zn6 Ga2 O14\n1.0\n3.217439 -5.572769 0.000000\n3.217439 5.572769 0.000000\n0.000000 0.000000 10.392181\nBa Y Zn Ga O\n2 2 6 2 14\ndirect\n0.666667 0.333333 0.990965 Ba\n0.333333 0.666667 0.490965 Ba\n0.666667 0.333333 0.634257 Y\n0.333333 0.666667 0.134257 Y\n0.170629 0.829371 0.817133 Zn\n0.658742 0.829371 0.817133 Zn\n0.170629 0.341258 0.817133 Zn\n0.829371 0.170629 0.317133 Zn\n0.341258 0.170629 0.317133 Zn\n0.829371 0.658742 0.317133 Zn\n0.000000 0.000000 0.067086 Ga\n0.000000 0.000000 0.567086 Ga\n0.505337 0.494663 0.763320 O\n0.989326 0.494663 0.763320 O\n0.505337 0.010674 0.763320 O\n0.494663 0.505337 0.263320 O\n0.010674 0.505337 0.263320 O\n0.494663 0.989326 0.263320 O\n0.000000 0.000000 0.248785 O\n0.000000 0.000000 0.748785 O\n0.159088 0.840912 0.010266 O\n0.681824 0.840912 0.010266 O\n0.159088 0.318176 0.010266 O\n0.840912 0.159088 0.510266 O\n0.318176 0.159088 0.510266 O\n0.840912 0.681824 0.510266 O\n",
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{
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"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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{
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"structure_string": "Na1 Ca2 Nb8 Bi9 O36\n1.0\n25.294388 0.000000 0.000000\n0.000000 5.545851 0.000000\n0.000000 0.044026 5.602867\nNa Ca Nb Bi O\n1 2 8 9 36\ndirect\n0.500000 0.734896 0.743514 Na\n0.000000 0.243633 0.733449 Ca\n0.000000 0.754509 0.235195 Ca\n0.416115 0.241783 0.764949 Nb\n0.918967 0.742375 0.766036 Nb\n0.081033 0.742375 0.766036 Nb\n0.583885 0.241783 0.764949 Nb\n0.080773 0.253513 0.265107 Nb\n0.583151 0.743113 0.269371 Nb\n0.416849 0.743113 0.269371 Nb\n0.919227 0.253513 0.265107 Nb\n0.299282 0.717584 0.712418 Bi\n0.801884 0.215678 0.708763 Bi\n0.198116 0.215678 0.708763 Bi\n0.700718 0.717584 0.712418 Bi\n0.198660 0.783346 0.211958 Bi\n0.700215 0.285023 0.209158 Bi\n0.299785 0.285023 0.209158 Bi\n0.801340 0.783346 0.211958 Bi\n0.500000 0.227134 0.222073 Bi\n0.500000 0.179290 0.821248 O\n0.000000 0.665099 0.822650 O\n0.000000 0.336429 0.322523 O\n0.500000 0.832798 0.321947 O\n0.415359 0.057417 0.098832 O\n0.913153 0.555562 0.098156 O\n0.086847 0.555562 0.098156 O\n0.584641 0.057417 0.098832 O\n0.087067 0.446454 0.597371 O\n0.591209 0.956347 0.588852 O\n0.408791 0.956347 0.588852 O\n0.912933 0.446454 0.597371 O\n0.436039 0.544065 0.010301 O\n0.939974 0.047213 0.007014 O\n0.060026 0.047213 0.007014 O\n0.563961 0.544065 0.010301 O\n0.059703 0.955625 0.507652 O\n0.565288 0.458793 0.504812 O\n0.434712 0.458793 0.504812 O\n0.940297 0.955625 0.507652 O\n0.249727 0.014711 0.986875 O\n0.751889 0.515241 0.987068 O\n0.248111 0.515241 0.987068 O\n0.750273 0.014711 0.986875 O\n0.248783 0.486892 0.486975 O\n0.750693 0.985802 0.487500 O\n0.249307 0.985802 0.487500 O\n0.751217 0.486892 0.486975 O\n0.344328 0.332950 0.808277 O\n0.847238 0.838743 0.801558 O\n0.152762 0.838743 0.801558 O\n0.655672 0.332950 0.808277 O\n0.152802 0.162749 0.303642 O\n0.656258 0.672130 0.291256 O\n0.343742 0.672130 0.291256 O\n0.847198 0.162749 0.303642 O\n",
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{
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