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{
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{
"id": "mp-779344",
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"structure_string": "Mn12 O7 F17\n1.0\n5.273310 0.000000 0.000000\n0.085825 5.727829 0.000000\n0.273722 1.165145 14.446397\nMn O F\n12 7 17\ndirect\n0.970087 0.073574 0.001782 Mn\n0.006434 0.585012 0.173339 Mn\n0.983104 0.102175 0.334955 Mn\n0.039074 0.577759 0.503359 Mn\n0.975336 0.070899 0.670691 Mn\n0.026329 0.564275 0.842462 Mn\n0.505372 0.876668 0.173996 Mn\n0.493449 0.481493 0.014324 Mn\n0.499602 0.409291 0.666817 Mn\n0.514502 0.900190 0.498831 Mn\n0.524089 0.395949 0.328218 Mn\n0.488048 0.922719 0.833533 Mn\n0.674867 0.138018 0.409203 O\n0.639155 0.142210 0.741526 O\n0.700089 0.676690 0.097914 O\n0.834835 0.355872 0.259013 O\n0.337296 0.675097 0.912702 O\n0.360711 0.637313 0.573640 O\n0.345330 0.608500 0.238682 O\n0.845444 0.859419 0.249499 F\n0.627119 0.153984 0.088754 F\n0.839706 0.854088 0.573329 F\n0.814440 0.866124 0.902622 F\n0.814205 0.355998 0.587688 F\n0.784853 0.360215 0.927946 F\n0.686884 0.637348 0.753730 F\n0.700056 0.642223 0.422982 F\n0.142209 0.365201 0.071129 F\n0.205307 0.368598 0.403331 F\n0.162510 0.367567 0.732314 F\n0.181329 0.879161 0.420443 F\n0.180012 0.849876 0.090242 F\n0.187677 0.849030 0.755460 F\n0.317857 0.132459 0.583404 F\n0.277646 0.164246 0.907735 F\n0.315036 0.100763 0.254407 F\n",
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{
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"structure_string": "Li3 Fe1 O4\n1.0\n5.038503 0.051916 0.011531\n8.523691 5.694572 0.059388\n8.514183 4.189174 2.528216\nLi Fe O\n3 1 4\ndirect\n0.006552 0.994638 0.001961 Li\n0.986727 0.493137 0.010607 Li\n0.502009 0.996928 0.499620 Li\n0.504513 0.492353 0.506031 Fe\n0.273762 0.990136 0.238103 O\n0.191714 0.488996 0.279365 O\n0.736394 0.993649 0.773299 O\n0.820597 0.497388 0.727929 O\n",
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"formula_full": "Li3 Fe1 O4",
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{
"id": "mp-850893",
"created_at": "2022-09-04T14:44:25.548364Z",
"structure_string": "Li9 V12 Fe7 O48\n1.0\n5.124591 0.000000 0.000000\n0.033699 10.212873 0.000000\n0.130408 0.076991 17.440561\nLi V Fe O\n9 12 7 48\ndirect\n0.757657 0.581164 0.969829 Li\n0.733747 0.251897 0.302082 Li\n0.751525 0.746782 0.798793 Li\n0.747253 0.415159 0.470639 Li\n0.599361 0.251370 0.752043 Li\n0.402757 0.751069 0.247984 Li\n0.253126 0.914356 0.529503 Li\n0.243031 0.252252 0.202218 Li\n0.259527 0.750651 0.698903 Li\n0.786588 0.253321 0.943475 V\n0.785469 0.974745 0.656235 V\n0.789883 0.527117 0.651018 V\n0.720522 0.473091 0.152466 V\n0.717875 0.029523 0.156365 V\n0.722995 0.746882 0.443100 V\n0.277504 0.245739 0.555746 V\n0.284122 0.971421 0.846332 V\n0.275115 0.524250 0.844266 V\n0.212975 0.474275 0.344081 V\n0.208503 0.026352 0.348474 V\n0.218004 0.752653 0.057938 V\n0.904272 0.750932 0.251602 Fe\n0.756758 0.924261 0.972805 Fe\n0.735685 0.067837 0.475610 Fe\n0.264648 0.568010 0.523834 Fe\n0.248929 0.432471 0.026251 Fe\n0.253441 0.078564 0.029768 Fe\n0.098662 0.250025 0.746725 Fe\n0.945047 0.760637 0.996039 O\n0.943894 0.387297 0.369836 O\n0.918301 0.111387 0.379964 O\n0.896256 0.368883 0.209843 O\n0.894680 0.128179 0.213327 O\n0.897733 0.889817 0.466380 O\n0.936431 0.621409 0.464122 O\n0.922932 0.999095 0.073487 O\n0.925772 0.504239 0.074279 O\n0.858460 0.251961 0.847795 O\n0.857412 0.386233 0.704673 O\n0.855529 0.116399 0.708276 O\n0.665275 0.883622 0.204838 O\n0.669697 0.618230 0.203799 O\n0.667745 0.747384 0.344500 O\n0.587892 0.010137 0.573342 O\n0.585634 0.490540 0.573858 O\n0.588849 0.113795 0.966995 O\n0.579019 0.379139 0.966086 O\n0.588768 0.873003 0.712249 O\n0.612398 0.633256 0.706602 O\n0.571453 0.889216 0.876614 O\n0.551986 0.606510 0.868749 O\n0.557571 0.235607 0.493502 O\n0.442666 0.735654 0.504905 O\n0.429734 0.391514 0.122807 O\n0.429714 0.113261 0.126544 O\n0.405693 0.372182 0.287250 O\n0.384141 0.131060 0.291783 O\n0.424690 0.890719 0.035832 O\n0.403604 0.616446 0.035343 O\n0.414755 0.990201 0.425625 O\n0.411886 0.509221 0.425873 O\n0.334210 0.246084 0.653958 O\n0.334667 0.382184 0.791282 O\n0.333694 0.116160 0.796173 O\n0.142453 0.884636 0.295939 O\n0.144474 0.616436 0.291157 O\n0.140965 0.754316 0.154090 O\n0.090661 0.485386 0.927344 O\n0.085256 0.009745 0.929893 O\n0.102741 0.389611 0.532883 O\n0.063615 0.120935 0.535067 O\n0.095732 0.870437 0.793722 O\n0.089368 0.632725 0.787993 O\n0.053599 0.887004 0.630192 O\n0.080580 0.610940 0.619511 O\n0.072434 0.251001 0.007585 O\n",
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"volume": 912.7831016685564,
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"formula_full": "Li9 V12 Fe7 O48",
"formula_reduced": "Li9V12Fe7O48",
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"spacegroup": 1
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{
"id": "mp-1215664",
"created_at": "2022-09-04T14:44:25.598177Z",
"structure_string": "Yb4 Cd4 Ag4\n1.0\n2.972186 -5.106501 0.000000\n2.972186 5.106501 0.000000\n0.000000 0.000000 9.343806\nYb Cd Ag\n4 4 4\ndirect\n0.335360 0.664640 0.300381 Yb\n0.667777 0.332223 0.183773 Yb\n0.667777 0.332223 0.816227 Yb\n0.335360 0.664640 0.699619 Yb\n0.831416 0.168584 0.500000 Cd\n0.336785 0.168425 0.500000 Cd\n0.831575 0.663215 0.500000 Cd\n0.167237 0.832763 0.000000 Cd\n0.657818 0.830468 0.000000 Ag\n0.169532 0.342182 0.000000 Ag\n0.999677 0.000323 0.246718 Ag\n0.999677 0.000323 0.753282 Ag\n",
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],
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"formula_full": "Yb4 Cd4 Ag4",
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{
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"created_at": "2022-09-04T14:44:25.608959Z",
"structure_string": "Cr2 Co1 Se4\n1.0\n1.828047 6.301754 0.000000\n-1.828047 6.301754 0.000000\n0.000000 3.072886 5.572277\nCr Co Se\n2 1 4\ndirect\n0.260433 0.260433 0.718528 Cr\n0.739567 0.739567 0.281472 Cr\n0.000000 0.000000 0.000000 Co\n0.371579 0.371579 0.972279 Se\n0.628421 0.628421 0.027721 Se\n0.114960 0.114960 0.556946 Se\n0.885040 0.885040 0.443054 Se\n",
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{
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{
"id": "mp-1094041",
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"structure_string": "Sr1 Ca3 Mn4 O12\n1.0\n3.834486 0.000000 0.000000\n0.000000 3.834486 0.000000\n0.000000 0.000000 15.283007\nSr Ca Mn O\n1 3 4 12\ndirect\n0.500000 0.500000 0.000000 Sr\n0.500000 0.500000 0.250252 Ca\n0.500000 0.500000 0.500000 Ca\n0.500000 0.500000 0.749748 Ca\n0.000000 0.000000 0.873296 Mn\n0.000000 0.000000 0.126704 Mn\n0.000000 0.000000 0.375427 Mn\n0.000000 0.000000 0.624573 Mn\n0.000000 0.000000 0.000000 O\n0.000000 0.000000 0.251701 O\n0.000000 0.000000 0.500000 O\n0.000000 0.000000 0.748299 O\n0.500000 0.000000 0.870150 O\n0.500000 0.000000 0.129850 O\n0.500000 0.000000 0.375938 O\n0.500000 0.000000 0.624062 O\n0.000000 0.500000 0.870150 O\n0.000000 0.500000 0.129850 O\n0.000000 0.500000 0.375938 O\n0.000000 0.500000 0.624062 O\n",
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"formula_full": "Sr1 Ca3 Mn4 O12",
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{
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"created_at": "2022-09-04T14:44:25.567280Z",
"structure_string": "Cu4 Te8 Br4\n1.0\n5.228464 0.000000 0.000000\n0.000000 8.396973 0.000000\n0.000000 5.473513 11.544012\nCu Te Br\n4 8 4\ndirect\n0.130234 0.179015 0.250891 Cu\n0.630234 0.820985 0.249109 Cu\n0.869766 0.820985 0.749109 Cu\n0.369766 0.179015 0.750891 Cu\n0.030358 0.278692 0.853805 Te\n0.788169 0.412058 0.149628 Te\n0.711831 0.412058 0.649628 Te\n0.211831 0.587942 0.850372 Te\n0.530358 0.721308 0.646195 Te\n0.969642 0.721308 0.146195 Te\n0.469642 0.278692 0.353805 Te\n0.288169 0.587942 0.350372 Te\n0.123631 0.084511 0.621144 Br\n0.376369 0.084511 0.121144 Br\n0.876369 0.915489 0.378856 Br\n0.623631 0.915489 0.878856 Br\n",
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{
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{
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"formula_full": "Cu4 H20 N8 O34",
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"updated_at": "2021-11-28T01:36:37.884000Z",
"spacegroup": 15
},
{
"id": "mp-22508",
"created_at": "2022-09-04T14:44:25.585993Z",
"structure_string": "Y1 Mn12\n1.0\n-4.139032 4.139032 2.355388\n4.139032 -4.139032 2.355388\n4.139032 4.139032 -2.355388\nY Mn\n1 12\ndirect\n0.000000 0.000000 0.000000 Y\n0.000000 0.500000 0.000000 Mn\n0.000000 0.634623 0.634623 Mn\n0.365377 0.000000 0.365377 Mn\n0.634623 0.000000 0.634623 Mn\n0.000000 0.365377 0.365377 Mn\n0.500000 0.729557 0.229557 Mn\n0.270443 0.500000 0.770443 Mn\n0.729557 0.500000 0.229557 Mn\n0.500000 0.270443 0.770443 Mn\n0.500000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.500000 Mn\n",
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"formula_full": "Y1 Mn12",
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{
"id": "mp-768982",
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"structure_string": "Li14 Nb2 S12\n1.0\n7.256254 0.000000 0.000000\n0.000000 7.191312 0.000000\n0.000000 6.928610 10.304351\nLi Nb S\n14 2 12\ndirect\n0.408064 0.374589 0.545224 Li\n0.907233 0.185084 0.700845 Li\n0.915702 0.494480 0.314367 Li\n0.517970 0.478234 0.233243 Li\n0.022614 0.658434 0.017888 Li\n0.367779 0.865765 0.831876 Li\n0.733906 0.126055 0.481269 Li\n0.591936 0.374589 0.045224 Li\n0.092767 0.185084 0.200845 Li\n0.084298 0.494480 0.814367 Li\n0.482030 0.478234 0.733243 Li\n0.977386 0.658434 0.517888 Li\n0.632221 0.865765 0.331876 Li\n0.266094 0.126055 0.981269 Li\n0.753599 0.991461 0.004532 Nb\n0.246401 0.991461 0.504532 Nb\n0.230604 0.247846 0.751515 S\n0.736893 0.465173 0.493459 S\n0.244150 0.372391 0.365354 S\n0.739385 0.832424 0.889601 S\n0.982763 0.865925 0.626827 S\n0.497062 0.884170 0.638116 S\n0.769396 0.247846 0.251515 S\n0.263107 0.465173 0.993459 S\n0.755850 0.372391 0.865354 S\n0.260615 0.832424 0.389601 S\n0.017237 0.865925 0.126827 S\n0.502938 0.884170 0.138116 S\n",
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]
}