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{
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{
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"structure_string": "Zn7 Cu8 Mo12 O48\n1.0\n0.000514 5.188459 0.006497\n-0.016753 0.013544 10.706748\n17.989779 0.001478 -0.028142\nZn Cu Mo O\n7 8 12 48\ndirect\n0.602965 0.249149 0.000698 Zn\n0.395400 0.748465 0.498732 Zn\n0.895570 0.751730 0.501368 Zn\n0.760601 0.593894 0.214253 Zn\n0.236976 0.101029 0.281334 Zn\n0.740388 0.397850 0.718724 Zn\n0.257871 0.906650 0.785633 Zn\n0.744832 0.941238 0.226576 Cu\n0.253572 0.437872 0.270274 Cu\n0.754811 0.061977 0.729899 Cu\n0.242121 0.559043 0.773165 Cu\n0.726903 0.236392 0.564767 Cu\n0.273715 0.736147 0.933116 Cu\n0.781932 0.764763 0.067970 Cu\n0.227002 0.263312 0.435253 Cu\n0.730704 0.484306 0.397114 Mo\n0.272815 0.983468 0.101337 Mo\n0.765964 0.518433 0.897380 Mo\n0.230967 0.015838 0.602821 Mo\n0.712517 0.038243 0.412257 Mo\n0.286574 0.539554 0.086987 Mo\n0.779726 0.958663 0.912815 Mo\n0.212389 0.461649 0.587682 Mo\n0.768868 0.265516 0.193909 Mo\n0.227080 0.764433 0.307717 Mo\n0.727062 0.735840 0.692134 Mo\n0.275318 0.234426 0.807551 Mo\n0.924142 0.530142 0.317345 O\n0.078331 0.028391 0.183106 O\n0.574788 0.475494 0.814890 O\n0.423603 0.969608 0.682612 O\n0.914676 0.009068 0.331928 O\n0.089523 0.507443 0.169379 O\n0.588667 0.988580 0.829303 O\n0.414399 0.490579 0.667853 O\n0.562971 0.136818 0.220302 O\n0.437477 0.637934 0.282593 O\n0.937406 0.861872 0.717370 O\n0.063206 0.363384 0.783116 O\n0.925176 0.371777 0.615828 O\n0.076387 0.871063 0.884171 O\n0.573194 0.631840 0.116552 O\n0.424614 0.128009 0.384319 O\n0.940727 0.385311 0.449096 O\n0.056516 0.888462 0.047047 O\n0.554174 0.615779 0.950906 O\n0.439772 0.115148 0.550962 O\n0.836435 0.252534 0.098181 O\n0.147291 0.753449 0.406712 O\n0.646730 0.746804 0.593169 O\n0.379091 0.245613 0.900313 O\n0.649817 0.623197 0.453365 O\n0.372934 0.115661 0.050449 O\n0.831589 0.382693 0.950031 O\n0.149808 0.876884 0.546674 O\n0.416683 0.903401 0.293688 O\n0.585346 0.408473 0.208519 O\n0.088533 0.092302 0.794148 O\n0.917874 0.596513 0.706455 O\n0.647983 0.888170 0.457025 O\n0.373572 0.396346 0.045411 O\n0.831003 0.105403 0.955047 O\n0.147539 0.611917 0.542858 O\n0.912218 0.131312 0.471037 O\n0.074425 0.631805 0.029802 O\n0.571537 0.864663 0.969199 O\n0.412841 0.368261 0.528984 O\n0.448271 0.399851 0.367522 O\n0.555494 0.893540 0.131357 O\n0.059397 0.603349 0.869887 O\n0.948061 0.100422 0.632811 O\n0.953284 0.765022 0.244372 O\n0.048575 0.266313 0.257713 O\n0.544798 0.233421 0.740377 O\n0.453528 0.735416 0.755299 O\n",
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{
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{
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"elements": [
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{
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{
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{
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"structure_string": "Mg14 Ti1 Mn1\n1.0\n6.318557 0.000000 -0.000000\n-3.159278 5.472030 -0.000000\n-0.000000 0.000000 10.054724\nMg Ti Mn\n14 1 1\ndirect\n0.167176 0.833588 0.125000 Mg\n0.170412 0.835206 0.625000 Mg\n0.666412 0.332824 0.125000 Mg\n0.664794 0.329588 0.625000 Mg\n0.666412 0.833588 0.125000 Mg\n0.664794 0.835206 0.625000 Mg\n0.328524 0.171476 0.373727 Mg\n0.328524 0.171476 0.876273 Mg\n0.328524 0.657048 0.373727 Mg\n0.328524 0.657048 0.876273 Mg\n0.842952 0.171476 0.373727 Mg\n0.842952 0.171476 0.876273 Mg\n0.833333 0.666667 0.376510 Mg\n0.833333 0.666667 0.873490 Mg\n0.166667 0.333333 0.625000 Ti\n0.166667 0.333333 0.125000 Mn\n",
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"density": 2.116361520263202,
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"formula_full": "Mg14 Ti1 Mn1",
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{
"id": "mp-1181150",
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"structure_string": "Mn10 H16 S2 O24\n1.0\n7.067754 -0.377033 -1.747656\n-2.326766 9.295214 -2.107271\n0.093074 -0.776305 9.057409\nMn H S O\n10 16 2 24\ndirect\n0.959627 0.222440 0.534526 Mn\n0.785545 0.909970 0.822172 Mn\n0.015273 0.430169 0.310158 Mn\n0.044004 0.660718 0.094068 Mn\n0.312546 0.943231 0.878017 Mn\n0.040373 0.777560 0.465474 Mn\n0.955996 0.339282 0.905932 Mn\n0.214455 0.090030 0.177828 Mn\n0.687454 0.056769 0.121983 Mn\n0.984727 0.569831 0.689842 Mn\n0.383434 0.047641 0.787777 H\n0.688844 0.624546 0.760965 H\n0.434496 0.582350 0.936178 H\n0.674009 0.251686 0.342354 H\n0.491025 0.345260 0.051622 H\n0.325991 0.748314 0.657646 H\n0.045310 0.834924 0.976506 H\n0.508975 0.654740 0.948378 H\n0.917352 0.869578 0.216042 H\n0.082648 0.130422 0.783958 H\n0.954690 0.165076 0.023494 H\n0.565504 0.417650 0.063822 H\n0.311156 0.375454 0.239035 H\n0.616566 0.952359 0.212223 H\n0.268405 0.443118 0.601762 H\n0.731595 0.556882 0.398238 H\n0.468396 0.727113 0.410234 S\n0.531604 0.272887 0.589766 S\n0.560300 0.898261 0.918888 O\n0.067802 0.983927 0.835551 O\n0.167398 0.848208 0.060122 O\n0.204544 0.767169 0.681529 O\n0.932198 0.016073 0.164449 O\n0.819398 0.698642 0.785901 O\n0.930211 0.778860 0.244413 O\n0.795456 0.232831 0.318471 O\n0.544055 0.852506 0.362674 O\n0.871880 0.562265 0.445594 O\n0.439700 0.101739 0.081112 O\n0.530883 0.776541 0.592107 O\n0.762059 0.322478 0.646172 O\n0.128120 0.437735 0.554406 O\n0.923058 0.465460 0.100486 O\n0.455945 0.147494 0.637326 O\n0.516860 0.589796 0.336860 O\n0.237941 0.677522 0.353828 O\n0.076942 0.534540 0.899514 O\n0.180602 0.301358 0.214099 O\n0.069789 0.221140 0.755587 O\n0.483140 0.410204 0.663140 O\n0.469117 0.223459 0.407893 O\n0.832602 0.151792 0.939878 O\n",
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"formula_full": "Mn10 H16 S2 O24",
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}