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{
"id": "mp-554041",
"created_at": "2022-09-04T14:47:26.556122Z",
"structure_string": "Na4 Al4 B4 O14\n1.0\n2.436285 -4.219770 0.000000\n2.436285 4.219770 0.000000\n0.000000 0.000000 15.594509\nNa Al B O\n4 4 4 14\ndirect\n0.000000 0.000000 0.250000 Na\n0.000000 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n0.000000 0.000000 0.750000 Na\n0.333333 0.666667 0.638803 Al\n0.666667 0.333333 0.138803 Al\n0.333333 0.666667 0.861197 Al\n0.666667 0.333333 0.361197 Al\n0.666667 0.333333 0.895881 B\n0.333333 0.666667 0.395881 B\n0.333333 0.666667 0.104119 B\n0.666667 0.333333 0.604119 B\n0.960701 0.605585 0.895930 O\n0.394415 0.039299 0.604070 O\n0.960701 0.355116 0.604070 O\n0.355116 0.394415 0.395930 O\n0.039299 0.644884 0.395930 O\n0.644884 0.039299 0.895930 O\n0.605585 0.644884 0.104070 O\n0.039299 0.394415 0.104070 O\n0.355116 0.960701 0.104070 O\n0.644884 0.605585 0.604070 O\n0.394415 0.355116 0.895930 O\n0.605585 0.960701 0.395930 O\n0.666667 0.333333 0.250000 O\n0.333333 0.666667 0.750000 O\n",
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{
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"structure_string": "Sr1 Au1 O3\n1.0\n4.135840 0.000000 0.000000\n0.000000 4.135840 0.000000\n0.000000 0.000000 4.135840\nSr Au O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Au\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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"spacegroup": 221
},
{
"id": "mp-20787",
"created_at": "2022-09-04T14:47:26.564278Z",
"structure_string": "Fe4 B4\n1.0\n2.948612 0.000000 0.000000\n0.000000 3.997554 0.000000\n0.000000 0.000000 5.408195\nFe B\n4 4\ndirect\n0.250000 0.379927 0.678145 Fe\n0.750000 0.620073 0.321855 Fe\n0.750000 0.879927 0.821855 Fe\n0.250000 0.120073 0.178145 Fe\n0.250000 0.881326 0.534234 B\n0.750000 0.118674 0.465766 B\n0.750000 0.381326 0.965766 B\n0.250000 0.618674 0.034234 B\n",
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{
"id": "mp-694916",
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"structure_string": "Ca18 La2 Ti16 Mn4 O60\n1.0\n5.431773 0.003598 -0.000257\n0.003841 5.506389 0.002554\n0.009887 0.013307 38.578455\nCa La Ti Mn O\n18 2 16 4 60\ndirect\n0.010775 0.959848 0.149982 Ca\n0.013541 0.960275 0.350559 Ca\n0.010516 0.962602 0.550828 Ca\n0.012091 0.962418 0.750315 Ca\n0.012430 0.962078 0.949778 Ca\n0.490280 0.458082 0.350534 Ca\n0.487784 0.458655 0.150007 Ca\n0.489654 0.457366 0.749626 Ca\n0.490616 0.458045 0.950561 Ca\n0.512604 0.541351 0.050034 Ca\n0.513040 0.540993 0.250223 Ca\n0.510416 0.543644 0.650745 Ca\n0.509933 0.540300 0.447183 Ca\n0.989291 0.039942 0.049950 Ca\n0.989596 0.039714 0.250212 Ca\n0.987804 0.037377 0.447859 Ca\n0.988873 0.037142 0.650016 Ca\n0.986758 0.036132 0.850082 Ca\n0.494479 0.467860 0.550909 La\n0.504537 0.533423 0.850069 La\n0.000225 0.499469 0.498121 Ti\n0.007267 0.498837 0.000785 Ti\n0.000264 0.499509 0.199970 Ti\n0.999340 0.498851 0.398628 Ti\n0.997796 0.500981 0.601798 Ti\n0.999204 0.498854 0.798665 Ti\n0.496816 0.999681 0.099492 Ti\n0.507752 0.000034 0.999338 Ti\n0.505815 0.001015 0.300059 Ti\n0.498268 0.998929 0.498205 Ti\n0.504537 0.999955 0.700630 Ti\n0.501075 0.999760 0.199880 Ti\n0.997512 0.500349 0.100292 Ti\n0.007986 0.499332 0.299908 Ti\n0.001400 0.498726 0.700021 Ti\n0.998728 0.498589 0.901842 Ti\n0.501406 0.999673 0.399422 Mn\n0.497671 0.999761 0.601077 Mn\n0.498367 0.999697 0.900495 Mn\n0.498911 0.999729 0.799392 Mn\n0.082176 0.480365 0.049985 O\n0.081149 0.480654 0.250106 O\n0.079487 0.479779 0.450336 O\n0.081473 0.478660 0.650245 O\n0.065025 0.484560 0.849905 O\n0.214533 0.215165 0.108707 O\n0.212112 0.214745 0.308832 O\n0.216935 0.217486 0.508732 O\n0.211358 0.215160 0.708704 O\n0.219570 0.220337 0.908564 O\n0.213813 0.215504 0.191371 O\n0.214758 0.216412 0.391514 O\n0.215832 0.219462 0.591183 O\n0.220058 0.219497 0.791480 O\n0.210310 0.215561 0.991274 O\n0.285416 0.714514 0.108739 O\n0.284459 0.715101 0.191375 O\n0.283771 0.713336 0.308834 O\n0.283732 0.713344 0.391717 O\n0.277451 0.717674 0.592244 O\n0.284743 0.713683 0.708282 O\n0.286367 0.715039 0.791971 O\n0.280778 0.719828 0.507657 O\n0.285519 0.714568 0.908119 O\n0.283068 0.714181 0.991418 O\n0.417588 0.980457 0.050398 O\n0.418226 0.980273 0.250313 O\n0.418151 0.981860 0.649386 O\n0.419847 0.982967 0.449563 O\n0.420754 0.990454 0.850917 O\n0.581319 0.018561 0.350517 O\n0.581168 0.019453 0.150206 O\n0.579141 0.010748 0.550367 O\n0.586081 0.019710 0.747815 O\n0.583703 0.019111 0.951366 O\n0.712045 0.286849 0.008742 O\n0.715459 0.285168 0.091320 O\n0.714375 0.285257 0.208789 O\n0.712695 0.283727 0.291675 O\n0.714698 0.288755 0.608262 O\n0.718699 0.283753 0.408459 O\n0.710908 0.287527 0.491908 O\n0.714376 0.288092 0.691257 O\n0.718868 0.281420 0.807402 O\n0.719807 0.281179 0.892506 O\n0.784028 0.784857 0.008968 O\n0.785155 0.784932 0.208800 O\n0.785090 0.781622 0.408694 O\n0.781785 0.779474 0.608574 O\n0.781365 0.782994 0.808650 O\n0.786278 0.784512 0.091271 O\n0.786429 0.783738 0.690959 O\n0.783733 0.784731 0.291537 O\n0.780831 0.783433 0.491523 O\n0.781285 0.782018 0.891272 O\n0.917808 0.519410 0.149990 O\n0.918974 0.519291 0.349927 O\n0.932133 0.516694 0.549769 O\n0.919212 0.521683 0.750039 O\n0.918740 0.521695 0.950074 O\n",
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"formula_full": "Ca18 La2 Ti16 Mn4 O60",
"formula_reduced": "Ca9LaTi8Mn2O30",
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"spacegroup": 1
},
{
"id": "mp-1220410",
"created_at": "2022-09-04T14:47:26.571690Z",
"structure_string": "Os8 Se2 S22 Cl16\n1.0\n-9.263523 0.055460 0.000000\n0.000000 0.000000 -11.236124\n0.073854 -12.428399 0.000000\nOs Se S Cl\n8 2 22 16\ndirect\n0.953354 0.370759 0.091850 Os\n0.546646 0.870759 0.408150 Os\n0.448586 0.630626 0.408376 Os\n0.051414 0.130626 0.091624 Os\n0.052334 0.631484 0.907983 Os\n0.447666 0.131484 0.592017 Os\n0.549497 0.368737 0.592252 Os\n0.950503 0.868737 0.907748 Os\n0.799470 0.197856 0.050105 Se\n0.700530 0.697856 0.449894 Se\n0.964741 0.334466 0.266937 S\n0.535259 0.834466 0.233063 S\n0.466539 0.663703 0.234003 S\n0.033461 0.163703 0.265997 S\n0.036083 0.665268 0.732665 S\n0.463917 0.165268 0.767335 S\n0.537248 0.335053 0.767535 S\n0.962752 0.835053 0.732465 S\n0.644379 0.160804 0.171747 S\n0.855621 0.660804 0.328253 S\n0.148410 0.836049 0.343023 S\n0.351590 0.336049 0.156977 S\n0.346150 0.839162 0.842975 S\n0.153850 0.339162 0.657025 S\n0.846029 0.161099 0.656844 S\n0.653971 0.661099 0.843156 S\n0.313443 0.800048 0.436611 S\n0.186557 0.300048 0.063389 S\n0.187046 0.801150 0.937801 S\n0.312954 0.301150 0.562199 S\n0.683537 0.199039 0.562737 S\n0.816463 0.699039 0.937263 S\n0.949259 0.927224 0.103698 Cl\n0.550741 0.427224 0.396302 Cl\n0.442041 0.073222 0.395693 Cl\n0.057959 0.573222 0.104307 Cl\n0.054959 0.071025 0.894537 Cl\n0.445041 0.571025 0.605463 Cl\n0.552846 0.929127 0.604884 Cl\n0.947154 0.429127 0.895116 Cl\n0.731245 0.472898 0.109609 Cl\n0.768755 0.972898 0.390391 Cl\n0.224992 0.532314 0.391994 Cl\n0.275008 0.032314 0.108006 Cl\n0.275049 0.531876 0.893248 Cl\n0.224951 0.031876 0.606752 Cl\n0.774286 0.467011 0.607758 Cl\n0.725714 0.967011 0.892242 Cl\n",
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{
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{
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