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{
"id": "mp-1228958",
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"structure_string": "Ba8 Pr1 Y3 Cu12 O28\n1.0\n3.856477 0.000000 0.000000\n0.000000 3.937596 0.000000\n0.000000 0.000000 47.283243\nBa Pr Y Cu O\n8 1 3 12 28\ndirect\n0.500000 0.500000 0.170237 Ba\n0.500000 0.500000 0.920310 Ba\n0.500000 0.500000 0.670351 Ba\n0.500000 0.500000 0.419597 Ba\n0.500000 0.500000 0.329649 Ba\n0.500000 0.500000 0.079690 Ba\n0.500000 0.500000 0.829763 Ba\n0.500000 0.500000 0.580403 Ba\n0.500000 0.500000 0.500000 Pr\n0.500000 0.500000 0.249988 Y\n0.500000 0.500000 0.000000 Y\n0.500000 0.500000 0.750012 Y\n0.000000 0.000000 0.374729 Cu\n0.000000 0.000000 0.125001 Cu\n0.000000 0.000000 0.874999 Cu\n0.000000 0.000000 0.625271 Cu\n0.000000 0.000000 0.213002 Cu\n0.000000 0.000000 0.963021 Cu\n0.000000 0.000000 0.713033 Cu\n0.000000 0.000000 0.461094 Cu\n0.000000 0.000000 0.286967 Cu\n0.000000 0.000000 0.036979 Cu\n0.000000 0.000000 0.786998 Cu\n0.000000 0.000000 0.538906 Cu\n0.500000 0.000000 0.219788 O\n0.500000 0.000000 0.969792 O\n0.500000 0.000000 0.719812 O\n0.500000 0.000000 0.467496 O\n0.500000 0.000000 0.280188 O\n0.500000 0.000000 0.030208 O\n0.500000 0.000000 0.780212 O\n0.500000 0.000000 0.532504 O\n0.000000 0.000000 0.164761 O\n0.000000 0.000000 0.914730 O\n0.000000 0.000000 0.664969 O\n0.000000 0.000000 0.414300 O\n0.000000 0.000000 0.335031 O\n0.000000 0.000000 0.085270 O\n0.000000 0.000000 0.835239 O\n0.000000 0.000000 0.585700 O\n0.000000 0.500000 0.374584 O\n0.000000 0.500000 0.124950 O\n0.000000 0.500000 0.875050 O\n0.000000 0.500000 0.625416 O\n0.000000 0.500000 0.219510 O\n0.000000 0.500000 0.969530 O\n0.000000 0.500000 0.719543 O\n0.000000 0.500000 0.467180 O\n0.000000 0.500000 0.280457 O\n0.000000 0.500000 0.030470 O\n0.000000 0.500000 0.780490 O\n0.000000 0.500000 0.532820 O\n",
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{
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"structure_string": "Ce8 Tl8 F40\n1.0\n0.261217 0.000000 8.416881\n7.983730 0.000000 -2.104372\n0.000000 13.938677 0.000000\nCe Tl F\n8 8 40\ndirect\n0.038623 0.055280 0.746319 Ce\n0.961377 0.944720 0.253681 Ce\n0.461377 0.944720 0.246319 Ce\n0.538623 0.055280 0.753681 Ce\n0.096520 0.517131 0.255381 Ce\n0.903480 0.482869 0.744619 Ce\n0.403480 0.482869 0.755381 Ce\n0.596520 0.517131 0.244619 Ce\n0.297453 0.224134 0.482699 Tl\n0.702547 0.775866 0.517301 Tl\n0.202547 0.775866 0.982699 Tl\n0.797453 0.224134 0.017301 Tl\n0.279979 0.269652 0.022946 Tl\n0.720021 0.730348 0.977054 Tl\n0.220021 0.730348 0.522946 Tl\n0.779979 0.269652 0.477054 Tl\n0.065346 0.479087 0.101144 F\n0.934654 0.520913 0.898856 F\n0.434654 0.520913 0.601144 F\n0.565346 0.479087 0.398856 F\n0.018703 0.726608 0.348766 F\n0.981297 0.273392 0.651234 F\n0.481297 0.273392 0.848766 F\n0.518703 0.726608 0.151234 F\n0.111412 0.433504 0.404110 F\n0.888588 0.566496 0.595890 F\n0.388588 0.566496 0.904110 F\n0.611412 0.433504 0.095890 F\n0.309135 0.220357 0.686497 F\n0.690865 0.779643 0.313503 F\n0.190865 0.779643 0.186497 F\n0.809135 0.220357 0.813503 F\n0.028306 0.230842 0.239234 F\n0.971694 0.769158 0.760766 F\n0.471694 0.769158 0.739234 F\n0.528306 0.230842 0.260766 F\n0.355056 0.680796 0.319545 F\n0.644944 0.319204 0.680455 F\n0.144944 0.319204 0.819545 F\n0.855056 0.680796 0.180455 F\n0.485774 0.013295 0.602810 F\n0.514226 0.986705 0.397190 F\n0.014226 0.986705 0.102810 F\n0.985774 0.013295 0.897190 F\n0.422095 0.029241 0.102488 F\n0.577905 0.970759 0.897512 F\n0.077905 0.970759 0.602488 F\n0.922095 0.029241 0.397512 F\n0.323943 0.421258 0.210176 F\n0.676057 0.578742 0.789824 F\n0.176057 0.578742 0.710176 F\n0.823943 0.421258 0.289824 F\n0.231022 0.030567 0.301706 F\n0.768978 0.969433 0.698294 F\n0.268978 0.969433 0.801706 F\n0.731022 0.030567 0.198294 F\n",
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"spacegroup": 14
},
{
"id": "mp-1567233",
"created_at": "2022-09-04T14:42:23.276737Z",
"structure_string": "Mn6 P8 O28\n1.0\n5.846798 -0.253258 1.496993\n-2.543877 13.049661 1.010973\n0.260527 -0.305609 7.708153\nMn P O\n6 8 28\ndirect\n0.487989 0.503456 0.992856 Mn\n0.515620 0.763898 0.664857 Mn\n0.475303 0.235339 0.336819 Mn\n0.988148 0.003189 0.992934 Mn\n0.015144 0.263895 0.665023 Mn\n0.975776 0.735438 0.336637 Mn\n0.516041 0.153434 0.929803 P\n0.016215 0.653347 0.929852 P\n0.979732 0.346115 0.076908 P\n0.479852 0.846141 0.076953 P\n0.944477 0.153193 0.304650 P\n0.444518 0.653210 0.304735 P\n0.571623 0.347755 0.681564 P\n0.071861 0.847667 0.681623 P\n0.120027 0.188239 0.418895 O\n0.620190 0.688187 0.418901 O\n0.403023 0.304981 0.564091 O\n0.903265 0.805011 0.564076 O\n0.696044 0.155485 0.416532 O\n0.196064 0.655510 0.416592 O\n0.824665 0.355739 0.574969 O\n0.324901 0.855684 0.575071 O\n0.314681 0.074608 0.891299 O\n0.814821 0.574532 0.891404 O\n0.175829 0.425669 0.121103 O\n0.675897 0.925677 0.121189 O\n0.490884 0.265007 0.858748 O\n0.990935 0.764906 0.858775 O\n0.026690 0.234258 0.127798 O\n0.526767 0.734311 0.127874 O\n0.505500 0.444444 0.764029 O\n0.005632 0.944319 0.764147 O\n0.982426 0.052224 0.226137 O\n0.482280 0.552257 0.226144 O\n0.997911 0.350828 0.879460 O\n0.498021 0.850812 0.879499 O\n0.477109 0.158281 0.134696 O\n0.977082 0.658250 0.134763 O\n0.732802 0.350775 0.201144 O\n0.232914 0.850862 0.201096 O\n0.760536 0.136536 0.833081 O\n0.260804 0.636532 0.833274 O\n",
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"formula_full": "Mn6 P8 O28",
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{
"id": "mp-1099832",
"created_at": "2022-09-04T14:44:26.902917Z",
"structure_string": "La7 Sm1 Mn7 Cu1 O24\n1.0\n5.557567 -5.553298 0.000000\n5.557567 5.553298 0.000000\n0.008534 0.000000 7.856564\nLa Sm Mn Cu O\n7 1 7 1 24\ndirect\n0.753352 0.246889 0.246889 La\n0.753192 0.246774 0.753192 La\n0.753192 0.753192 0.246774 La\n0.753153 0.753153 0.753153 La\n0.246889 0.246889 0.753352 La\n0.246889 0.753352 0.246889 La\n0.246774 0.753192 0.753192 La\n0.245954 0.245954 0.245954 Sm\n0.000511 0.000511 0.499453 Mn\n0.000511 0.499453 0.000511 Mn\n0.000548 0.499543 0.499543 Mn\n0.499453 0.000511 0.000511 Mn\n0.499543 0.000548 0.499543 Mn\n0.499543 0.499543 0.000548 Mn\n0.499548 0.499548 0.499548 Mn\n0.999920 0.999920 0.999920 Cu\n0.744008 0.000115 0.000115 O\n0.750789 0.000189 0.499782 O\n0.750789 0.499782 0.000189 O\n0.752507 0.499857 0.499857 O\n0.255666 0.002302 0.002302 O\n0.249292 0.001862 0.498153 O\n0.249292 0.498153 0.001862 O\n0.247548 0.498308 0.498308 O\n0.002302 0.255666 0.002302 O\n0.001862 0.249292 0.498153 O\n0.000115 0.744008 0.000115 O\n0.000189 0.750789 0.499782 O\n0.498153 0.249292 0.001862 O\n0.498308 0.247548 0.498308 O\n0.499782 0.750789 0.000189 O\n0.499857 0.752507 0.499857 O\n0.002302 0.002302 0.255666 O\n0.000115 0.000115 0.744008 O\n0.001862 0.498153 0.249292 O\n0.000189 0.499782 0.750789 O\n0.498153 0.001862 0.249292 O\n0.499782 0.000189 0.750789 O\n0.498308 0.498308 0.247548 O\n0.499857 0.499857 0.752507 O\n",
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{
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"structure_string": "Hf4 H24 O12 F16\n1.0\n-6.645683 0.000000 1.180564\n-0.023647 0.000000 -7.707189\n0.000000 -10.718973 0.000000\nHf H O F\n4 24 12 16\ndirect\n0.742067 0.459633 0.545017 Hf\n0.257933 0.040367 0.045017 Hf\n0.257933 0.540367 0.454983 Hf\n0.742067 0.959633 0.954983 Hf\n0.603362 0.390321 0.119063 H\n0.396638 0.109679 0.619063 H\n0.396638 0.609679 0.880937 H\n0.603362 0.890321 0.380937 H\n0.824962 0.384048 0.084129 H\n0.175038 0.115952 0.584129 H\n0.175038 0.615952 0.915871 H\n0.824962 0.884048 0.415871 H\n0.764031 0.347247 0.293041 H\n0.235969 0.152753 0.793041 H\n0.235969 0.652753 0.706959 H\n0.764031 0.847247 0.206959 H\n0.761002 0.166217 0.374595 H\n0.238998 0.333783 0.874595 H\n0.238998 0.833783 0.625405 H\n0.761002 0.666217 0.125405 H\n0.732470 0.568309 0.799061 H\n0.267530 0.931691 0.299061 H\n0.267530 0.431691 0.200939 H\n0.732470 0.068309 0.700939 H\n0.761838 0.365566 0.803485 H\n0.238162 0.134434 0.303485 H\n0.238162 0.634434 0.196515 H\n0.761838 0.865566 0.696515 H\n0.743967 0.442472 0.140663 O\n0.256033 0.057528 0.640663 O\n0.256033 0.557528 0.859337 O\n0.743967 0.942472 0.359337 O\n0.756083 0.295213 0.378174 O\n0.243917 0.204787 0.878174 O\n0.243917 0.704787 0.621826 O\n0.756083 0.795213 0.121826 O\n0.772065 0.471671 0.748885 O\n0.227935 0.028329 0.248885 O\n0.227935 0.528329 0.251115 O\n0.772065 0.971671 0.751115 O\n0.028038 0.392466 0.576330 F\n0.971962 0.107534 0.076330 F\n0.971962 0.607534 0.423670 F\n0.028038 0.892466 0.923670 F\n0.432826 0.442568 0.596694 F\n0.567174 0.057432 0.096694 F\n0.567174 0.557432 0.403306 F\n0.432826 0.942568 0.903306 F\n0.761739 0.715636 0.594780 F\n0.238261 0.784364 0.094780 F\n0.238261 0.284364 0.405220 F\n0.761739 0.215636 0.905220 F\n0.654211 0.201716 0.602307 F\n0.345789 0.298284 0.102307 F\n0.345789 0.798284 0.397693 F\n0.654211 0.701716 0.897693 F\n",
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},
{
"id": "mp-1175354",
"created_at": "2022-09-04T14:48:29.281542Z",
"structure_string": "Li14 Mn10 O24\n1.0\n0.120420 0.025112 6.502771\n10.590077 0.250109 -1.082251\n-0.614175 6.426106 0.792998\nLi Mn O\n14 10 24\ndirect\n0.833237 0.250165 0.166566 Li\n0.833460 0.749773 0.166844 Li\n0.070894 0.131328 0.404179 Li\n0.070447 0.630899 0.403841 Li\n0.596108 0.369177 0.929471 Li\n0.595868 0.868689 0.929174 Li\n0.741972 0.116527 0.745535 Li\n0.742326 0.616621 0.746640 Li\n0.412211 0.116566 0.075459 Li\n0.413291 0.616626 0.075687 Li\n0.253366 0.383361 0.257589 Li\n0.254549 0.883466 0.258072 Li\n0.924226 0.383348 0.586749 Li\n0.924574 0.883415 0.587825 Li\n0.998800 0.999965 0.001316 Mn\n0.999151 0.500006 0.000834 Mn\n0.667425 0.499998 0.332526 Mn\n0.668117 0.999991 0.331994 Mn\n0.502727 0.250521 0.496870 Mn\n0.503147 0.749524 0.497284 Mn\n0.163523 0.250582 0.836073 Mn\n0.163928 0.749467 0.836549 Mn\n0.333173 0.500085 0.666513 Mn\n0.333320 0.999911 0.666677 Mn\n0.451165 0.195777 0.784532 O\n0.452355 0.695722 0.785710 O\n0.214253 0.304326 0.547599 O\n0.215387 0.804266 0.548795 O\n0.949025 0.448663 0.282425 O\n0.949759 0.948959 0.282891 O\n0.717284 0.050921 0.050378 O\n0.717652 0.551348 0.051045 O\n0.112696 0.169400 0.096885 O\n0.113377 0.668963 0.097623 O\n0.763660 0.169476 0.445923 O\n0.764180 0.668971 0.446751 O\n0.902315 0.331020 0.886703 O\n0.903135 0.830527 0.887380 O\n0.553277 0.331011 0.235678 O\n0.554130 0.830572 0.236406 O\n0.617937 0.445262 0.614736 O\n0.618126 0.945375 0.614445 O\n0.281354 0.445270 0.951313 O\n0.281284 0.945335 0.951461 O\n0.385716 0.054619 0.381933 O\n0.385194 0.554821 0.381655 O\n0.048611 0.054573 0.718879 O\n0.048288 0.554814 0.718590 O\n",
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"formula_full": "Li14 Mn10 O24",
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},
{
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