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{
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{
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{
"id": "mp-1519434",
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"structure_string": "Na1 Li1 Nb1 Bi1 O6\n1.0\n0.000000 -4.087650 -4.087650\n4.087650 -0.000000 -4.087650\n4.087650 -4.087650 -0.000000\nNa Li Nb Bi O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Li\n0.500000 0.500000 0.500000 Nb\n0.000000 0.000000 0.000000 Bi\n0.743619 0.256381 0.256381 O\n0.256381 0.743619 0.743619 O\n0.743619 0.256381 0.743619 O\n0.256381 0.743619 0.256381 O\n0.743619 0.743619 0.256381 O\n0.256381 0.256381 0.743619 O\n",
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{
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"structure_string": "Li4 Bi4 B8 O20\n1.0\n10.030669 0.000000 0.000000\n0.000000 6.458701 0.000000\n0.000000 2.595549 6.849193\nLi Bi B O\n4 4 8 20\ndirect\n0.803793 0.716130 0.776638 Li\n0.696207 0.216130 0.776638 Li\n0.303793 0.783870 0.223362 Li\n0.196207 0.283870 0.223362 Li\n0.451095 0.730976 0.767590 Bi\n0.048905 0.230976 0.767590 Bi\n0.951095 0.769024 0.232410 Bi\n0.548905 0.269024 0.232410 Bi\n0.144619 0.727262 0.889152 B\n0.355381 0.227262 0.889152 B\n0.092612 0.762603 0.540992 B\n0.592612 0.737397 0.459008 B\n0.407388 0.262603 0.540992 B\n0.907388 0.237397 0.459008 B\n0.644619 0.772738 0.110848 B\n0.855381 0.272738 0.110848 B\n0.710177 0.905499 0.956710 O\n0.041684 0.869235 0.901368 O\n0.789823 0.405499 0.956710 O\n0.458316 0.369235 0.901368 O\n0.179805 0.734025 0.697942 O\n0.645555 0.711575 0.638670 O\n0.320195 0.234025 0.697942 O\n0.956248 0.740634 0.560741 O\n0.854445 0.211575 0.638670 O\n0.456248 0.759366 0.439259 O\n0.543752 0.240634 0.560741 O\n0.145555 0.788425 0.361330 O\n0.043752 0.259366 0.439259 O\n0.679805 0.765975 0.302058 O\n0.354445 0.288425 0.361330 O\n0.820195 0.265975 0.302058 O\n0.541684 0.630765 0.098632 O\n0.210177 0.594501 0.043290 O\n0.958316 0.130765 0.098632 O\n0.289823 0.094501 0.043290 O\n",
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"formula_full": "Li4 Bi4 B8 O20",
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{
"id": "mp-559500",
"created_at": "2022-09-04T14:45:41.657994Z",
"structure_string": "Na6 V2 S2 O6\n1.0\n4.824548 -4.332399 0.000000\n4.824548 4.332399 0.000000\n0.934094 0.000000 6.416652\nNa V S O\n6 2 2 6\ndirect\n0.093784 0.706525 0.397360 Na\n0.206525 0.593784 0.897360 Na\n0.897360 0.206525 0.593784 Na\n0.706525 0.397360 0.093784 Na\n0.397360 0.093784 0.706525 Na\n0.593784 0.897360 0.206525 Na\n0.681629 0.681629 0.681629 V\n0.181629 0.181629 0.181629 V\n0.499859 0.499859 0.499859 S\n0.999859 0.999859 0.999859 S\n0.916155 0.537304 0.721574 O\n0.537304 0.721574 0.916155 O\n0.721574 0.916155 0.537304 O\n0.416155 0.221574 0.037304 O\n0.037304 0.416155 0.221574 O\n0.221574 0.037304 0.416155 O\n",
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{
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{
"id": "mp-754914",
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"structure_string": "Li8 Ti4 Mn4 O16\n1.0\n-1.781731 4.316971 2.636406\n0.000090 -3.134937 5.133568\n8.654632 2.533541 5.071483\nLi Ti Mn O\n8 4 4 16\ndirect\n0.500000 0.750000 0.500000 Li\n0.500000 0.250000 0.500000 Li\n0.000000 0.499996 0.000000 Li\n0.000000 0.000004 0.000000 Li\n0.500000 0.250000 0.000000 Li\n0.500000 0.750000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.500000 0.500000 Li\n0.249996 0.374998 0.250004 Ti\n0.249997 0.874999 0.250003 Ti\n0.750004 0.125002 0.749997 Ti\n0.750004 0.625001 0.749997 Ti\n0.249979 0.874998 0.750002 Mn\n0.750015 0.625005 0.249989 Mn\n0.249997 0.375005 0.749999 Mn\n0.750006 0.124995 0.250005 Mn\n0.412655 0.568871 0.862221 O\n0.412655 0.068887 0.862222 O\n0.912660 0.318874 0.362217 O\n0.912660 0.818890 0.362218 O\n0.087340 0.181127 0.637783 O\n0.087339 0.681108 0.637783 O\n0.587345 0.931129 0.137779 O\n0.587344 0.431112 0.137778 O\n0.356311 0.066603 0.366755 O\n0.356296 0.566602 0.366757 O\n0.856294 0.816601 0.866758 O\n0.856311 0.316603 0.866755 O\n0.143706 0.683398 0.133242 O\n0.143689 0.183397 0.133245 O\n0.643689 0.433396 0.633246 O\n0.643705 0.933398 0.633243 O\n",
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{
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"structure_string": "Na16 Ca8 P8 O32 F8\n1.0\n7.169151 0.000000 0.000000\n0.000000 10.779832 0.000000\n0.000000 5.379691 12.329182\nNa Ca P O F\n16 8 8 32 8\ndirect\n0.746112 0.913099 0.910035 Na\n0.727256 0.823528 0.587604 Na\n0.018847 0.432182 0.330548 Na\n0.772744 0.323528 0.587604 Na\n0.518847 0.067818 0.669452 Na\n0.753888 0.413099 0.910035 Na\n0.246112 0.586901 0.089965 Na\n0.476584 0.790274 0.164031 Na\n0.523416 0.209726 0.835969 Na\n0.272744 0.176472 0.412396 Na\n0.481153 0.932182 0.330548 Na\n0.981153 0.567818 0.669452 Na\n0.227256 0.676472 0.412396 Na\n0.023416 0.290274 0.164031 Na\n0.976584 0.709726 0.835969 Na\n0.253888 0.086901 0.089965 Na\n0.987718 0.028890 0.669027 Ca\n0.506044 0.722888 0.827250 Ca\n0.993956 0.222888 0.827250 Ca\n0.512282 0.528890 0.669027 Ca\n0.006044 0.777112 0.172750 Ca\n0.493956 0.277112 0.172750 Ca\n0.012282 0.971110 0.330973 Ca\n0.487718 0.471110 0.330973 Ca\n0.740587 0.645299 0.413311 P\n0.240587 0.854701 0.586689 P\n0.256189 0.439322 0.915794 P\n0.243811 0.939322 0.915794 P\n0.759413 0.145299 0.413311 P\n0.756189 0.060678 0.084206 P\n0.743811 0.560678 0.084206 P\n0.259413 0.354701 0.586689 P\n0.731815 0.636241 0.531422 O\n0.550102 0.694451 0.354590 O\n0.449898 0.305549 0.645410 O\n0.077613 0.416397 0.859581 O\n0.050102 0.805549 0.645410 O\n0.231815 0.863759 0.468578 O\n0.577613 0.083603 0.140419 O\n0.932522 0.072304 0.147894 O\n0.949898 0.194451 0.354590 O\n0.400122 0.755091 0.649600 O\n0.067478 0.927696 0.852106 O\n0.768185 0.136241 0.531422 O\n0.224749 0.498465 0.586173 O\n0.567478 0.572304 0.147894 O\n0.767600 0.166684 0.964878 O\n0.775251 0.501535 0.413827 O\n0.599878 0.244909 0.350400 O\n0.422387 0.916397 0.859581 O\n0.724749 0.001535 0.413827 O\n0.922387 0.583603 0.140419 O\n0.900122 0.744909 0.350400 O\n0.232400 0.833316 0.035122 O\n0.099878 0.255091 0.649600 O\n0.248841 0.085080 0.915237 O\n0.432522 0.427696 0.852106 O\n0.268185 0.363759 0.468578 O\n0.267600 0.333316 0.035122 O\n0.275251 0.998465 0.586173 O\n0.732400 0.666684 0.964878 O\n0.748841 0.414920 0.084763 O\n0.251159 0.585080 0.915237 O\n0.751159 0.914920 0.084763 O\n0.769678 0.384240 0.736448 F\n0.273807 0.378471 0.241382 F\n0.726193 0.621529 0.758618 F\n0.230322 0.615760 0.263552 F\n0.730322 0.884240 0.736448 F\n0.773807 0.121529 0.758618 F\n0.269678 0.115760 0.263552 F\n0.226193 0.878471 0.241382 F\n",
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{
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{
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],
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"formula_full": "Li4 Mn4 B4 O12",
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{
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"structure_string": "K8 Zn4 Si16 O40\n1.0\n7.173692 0.000000 0.000000\n0.000000 10.205822 0.000000\n0.000000 0.000000 14.256418\nK Zn Si O\n8 4 16 40\ndirect\n0.231326 0.401135 0.119285 K\n0.731326 0.098865 0.880715 K\n0.268674 0.598865 0.619285 K\n0.768674 0.901135 0.380715 K\n0.988777 0.675232 0.900612 K\n0.488777 0.824768 0.099388 K\n0.011223 0.175232 0.599388 K\n0.511223 0.324768 0.400612 K\n0.481650 0.806403 0.853468 Zn\n0.018350 0.193597 0.353468 Zn\n0.518350 0.306403 0.646532 Zn\n0.981650 0.693597 0.146532 Zn\n0.266173 0.940044 0.400871 Si\n0.766173 0.559956 0.599129 Si\n0.236315 0.344788 0.820800 Si\n0.531457 0.518285 0.921064 Si\n0.173683 0.902987 0.726842 Si\n0.468543 0.018285 0.578936 Si\n0.826317 0.402987 0.773158 Si\n0.673683 0.597013 0.273158 Si\n0.263685 0.655212 0.320800 Si\n0.031457 0.981715 0.078936 Si\n0.736315 0.155212 0.179200 Si\n0.326317 0.097013 0.226842 Si\n0.763685 0.844788 0.679200 Si\n0.968543 0.481715 0.421064 Si\n0.233827 0.059956 0.900871 Si\n0.733827 0.440044 0.099129 Si\n0.920544 0.574154 0.513386 O\n0.806889 0.508027 0.341772 O\n0.107384 0.004890 0.811043 O\n0.509679 0.134866 0.163157 O\n0.716121 0.847416 0.789050 O\n0.022316 0.829386 0.051865 O\n0.283879 0.347416 0.710950 O\n0.229447 0.227551 0.266825 O\n0.198135 0.790161 0.375289 O\n0.892616 0.504890 0.688957 O\n0.671222 0.966431 0.618307 O\n0.079456 0.074154 0.986614 O\n0.490321 0.634866 0.336843 O\n0.828778 0.033569 0.118307 O\n0.590520 0.468537 0.574800 O\n0.977684 0.329386 0.448135 O\n0.392616 0.995110 0.311043 O\n0.801865 0.290161 0.124711 O\n0.270553 0.772449 0.766825 O\n0.698135 0.709839 0.624711 O\n0.909480 0.531463 0.074800 O\n0.607384 0.495110 0.188957 O\n0.009679 0.365134 0.836843 O\n0.693111 0.491973 0.841772 O\n0.216121 0.652584 0.210950 O\n0.193111 0.008027 0.158228 O\n0.579456 0.425846 0.013386 O\n0.409480 0.968537 0.925200 O\n0.306889 0.991973 0.658228 O\n0.477684 0.170614 0.551865 O\n0.090520 0.031463 0.425200 O\n0.301865 0.209839 0.875289 O\n0.522316 0.670614 0.948135 O\n0.990321 0.865134 0.663157 O\n0.171222 0.533569 0.381693 O\n0.770553 0.727551 0.233175 O\n0.783879 0.152584 0.289050 O\n0.729447 0.272449 0.733175 O\n0.328778 0.466431 0.881693 O\n0.420544 0.925846 0.486614 O\n",
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{
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"structure_string": "Al4 O6\n1.0\n1.470475 5.962874 0.000000\n-1.470475 5.962874 0.000000\n0.000000 1.374654 5.501370\nAl O\n4 6\ndirect\n0.909879 0.909879 0.795611 Al\n0.090121 0.090121 0.204389 Al\n0.657850 0.657850 0.683223 Al\n0.342150 0.342150 0.316777 Al\n0.839794 0.839794 0.108953 O\n0.160206 0.160206 0.891047 O\n0.504979 0.504979 0.257442 O\n0.495021 0.495021 0.742558 O\n0.173605 0.173605 0.432588 O\n0.826395 0.826395 0.567412 O\n",
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"formula_full": "Al4 O6",
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}