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{
"id": "mp-768556",
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"structure_string": "Na6 B2 Sb2 P2 O14\n1.0\n6.951170 0.000000 0.000000\n0.000000 5.471954 0.000000\n0.000000 0.477577 9.306282\nNa B Sb P O\n6 2 2 2 14\ndirect\n0.250000 0.759512 0.929763 Na\n0.007952 0.249307 0.751824 Na\n0.492048 0.249307 0.751824 Na\n0.507952 0.750693 0.248176 Na\n0.992048 0.750693 0.248176 Na\n0.750000 0.240488 0.070237 Na\n0.750000 0.735950 0.933742 B\n0.250000 0.264050 0.066258 B\n0.750000 0.777972 0.654588 Sb\n0.250000 0.222028 0.345412 Sb\n0.250000 0.719297 0.599964 P\n0.750000 0.280703 0.400036 P\n0.250000 0.269911 0.923314 O\n0.750000 0.959557 0.845746 O\n0.750000 0.529115 0.848297 O\n0.073710 0.822680 0.683592 O\n0.426290 0.822680 0.683592 O\n0.250000 0.439390 0.609589 O\n0.750000 0.187821 0.562490 O\n0.250000 0.812179 0.437510 O\n0.750000 0.560610 0.390411 O\n0.573710 0.177320 0.316408 O\n0.926290 0.177320 0.316408 O\n0.250000 0.470885 0.151703 O\n0.250000 0.040443 0.154254 O\n0.750000 0.730089 0.076686 O\n",
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{
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"structure_string": "Ca8 Ti2 Mn6 O23\n1.0\n7.672093 0.000000 0.000000\n0.000000 7.661667 0.000000\n0.000000 0.000000 7.681164\nCa Ti Mn O\n8 2 6 23\ndirect\n0.257002 0.262206 0.251154 Ca\n0.260624 0.268051 0.739812 Ca\n0.257002 0.737794 0.251154 Ca\n0.260624 0.731949 0.739812 Ca\n0.742998 0.262206 0.251154 Ca\n0.739376 0.268051 0.739812 Ca\n0.742998 0.737794 0.251154 Ca\n0.739376 0.731949 0.739812 Ca\n0.000000 0.000000 0.985409 Ti\n0.500000 0.000000 0.007712 Ti\n0.000000 0.000000 0.499453 Mn\n0.000000 0.500000 0.005149 Mn\n0.000000 0.500000 0.495910 Mn\n0.500000 0.000000 0.497624 Mn\n0.500000 0.500000 0.999135 Mn\n0.500000 0.500000 0.497868 Mn\n0.000000 0.000000 0.756375 O\n0.000000 0.500000 0.250645 O\n0.000000 0.500000 0.749940 O\n0.500000 0.000000 0.255106 O\n0.500000 0.000000 0.750360 O\n0.500000 0.500000 0.249588 O\n0.500000 0.500000 0.749180 O\n0.243432 0.000000 0.039013 O\n0.248298 0.000000 0.476200 O\n0.250343 0.500000 0.995729 O\n0.250462 0.500000 0.506017 O\n0.756568 0.000000 0.039013 O\n0.751702 0.000000 0.476200 O\n0.749657 0.500000 0.995729 O\n0.749538 0.500000 0.506017 O\n0.000000 0.248487 0.024725 O\n0.000000 0.247836 0.474559 O\n0.000000 0.751513 0.024725 O\n0.000000 0.752164 0.474559 O\n0.500000 0.252215 0.996610 O\n0.500000 0.250165 0.505491 O\n0.500000 0.747785 0.996610 O\n0.500000 0.749835 0.505491 O\n",
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"formula_full": "Ca8 Ti2 Mn6 O23",
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{
"id": "mp-1178251",
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"structure_string": "Fe5 O1 F11\n1.0\n-5.217055 -0.043385 0.024186\n2.543858 -4.929014 -0.004471\n0.125487 -2.887979 8.718122\nFe O F\n5 1 11\ndirect\n0.819460 0.581017 0.397735 Fe\n0.530588 0.065613 0.139035 Fe\n0.502247 0.986225 0.499907 Fe\n0.034946 0.090032 0.662723 Fe\n0.268699 0.562391 0.912598 Fe\n0.918939 0.263800 0.491830 O\n0.957486 0.308738 0.085685 F\n0.037042 0.319178 0.792888 F\n0.452507 0.304723 0.594272 F\n0.532590 0.280709 0.277752 F\n0.469180 0.326496 0.967745 F\n0.581287 0.792838 0.727338 F\n0.593661 0.813684 0.335104 F\n0.525350 0.810183 0.026094 F\n0.122808 0.830817 0.203129 F\n0.067161 0.821145 0.543656 F\n0.098411 0.816724 0.841700 F\n",
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"formula_full": "Fe5 O1 F11",
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{
"id": "mp-764931",
"created_at": "2022-09-04T14:39:23.387276Z",
"structure_string": "Li12 Mn4 Fe4 Co4 P12 O48\n1.0\n10.417476 0.000000 0.021592\n0.000000 6.100445 0.000000\n0.029809 0.000000 14.315625\nLi Mn Fe Co P O\n12 4 4 4 12 48\ndirect\n0.996023 0.499501 0.667157 Li\n0.999522 0.000838 0.999121 Li\n0.999522 0.499162 0.999121 Li\n0.997078 0.998697 0.333818 Li\n0.997078 0.501303 0.333818 Li\n0.996023 0.000499 0.667157 Li\n0.503066 0.999812 0.500472 Li\n0.503066 0.500188 0.500472 Li\n0.501458 0.999894 0.165454 Li\n0.501458 0.500106 0.165454 Li\n0.503192 0.999712 0.833705 Li\n0.503192 0.500288 0.833705 Li\n0.218474 0.750000 0.159275 Mn\n0.219209 0.750000 0.494028 Mn\n0.281903 0.250000 0.660648 Mn\n0.281327 0.250000 0.326384 Mn\n0.217330 0.750000 0.826655 Fe\n0.282735 0.250000 0.990681 Fe\n0.718887 0.750000 0.008449 Fe\n0.719327 0.750000 0.342027 Fe\n0.722770 0.750000 0.671274 Co\n0.780861 0.250000 0.839427 Co\n0.776997 0.250000 0.504828 Co\n0.780975 0.250000 0.172335 Co\n0.093072 0.250000 0.807463 P\n0.092829 0.250000 0.137747 P\n0.090025 0.250000 0.472912 P\n0.409126 0.750000 0.305392 P\n0.408757 0.750000 0.640079 P\n0.405456 0.750000 0.971712 P\n0.598101 0.250000 0.360539 P\n0.595490 0.250000 0.026772 P\n0.599248 0.250000 0.694797 P\n0.901936 0.750000 0.860321 P\n0.902350 0.750000 0.194460 P\n0.901785 0.750000 0.528155 P\n0.040511 0.750000 0.235789 O\n0.039940 0.750000 0.569283 O\n0.040821 0.750000 0.900723 O\n0.095563 0.250000 0.580319 O\n0.097524 0.250000 0.914632 O\n0.097168 0.250000 0.245319 O\n0.163461 0.048497 0.092453 O\n0.163461 0.451503 0.092453 O\n0.160224 0.048014 0.427489 O\n0.160224 0.451986 0.427489 O\n0.163956 0.046977 0.762868 O\n0.163956 0.453023 0.762868 O\n0.339706 0.547947 0.594155 O\n0.339706 0.952053 0.594155 O\n0.339156 0.547623 0.260862 O\n0.339156 0.952377 0.260862 O\n0.334288 0.547204 0.927731 O\n0.334288 0.952796 0.927731 O\n0.404531 0.750000 0.412992 O\n0.402813 0.750000 0.079135 O\n0.401821 0.750000 0.747376 O\n0.460378 0.250000 0.403030 O\n0.456500 0.250000 0.067207 O\n0.460285 0.250000 0.735260 O\n0.547556 0.750000 0.264318 O\n0.543664 0.750000 0.930319 O\n0.548885 0.750000 0.600241 O\n0.600768 0.250000 0.253121 O\n0.600033 0.250000 0.919372 O\n0.602376 0.250000 0.586512 O\n0.665864 0.047670 0.072042 O\n0.669139 0.047735 0.405598 O\n0.668300 0.046803 0.739973 O\n0.668300 0.453197 0.739973 O\n0.665864 0.452330 0.072042 O\n0.669139 0.452265 0.405598 O\n0.832263 0.545442 0.904725 O\n0.832263 0.954558 0.904725 O\n0.832511 0.545272 0.238926 O\n0.831288 0.546742 0.573428 O\n0.832511 0.954728 0.238926 O\n0.831288 0.953258 0.573428 O\n0.899225 0.750000 0.752371 O\n0.901126 0.750000 0.420617 O\n0.900279 0.750000 0.086865 O\n0.954486 0.250000 0.767170 O\n0.953286 0.250000 0.098441 O\n0.950500 0.250000 0.433279 O\n",
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"formula_full": "Li12 Mn4 Fe4 Co4 P12 O48",
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{
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"created_at": "2022-09-04T14:39:23.483817Z",
"structure_string": "Ce1 Ga3 Pt1\n1.0\n4.225949 0.000000 0.000000\n0.000000 4.225949 0.000000\n2.112975 2.112975 5.382369\nCe Ga Pt\n1 3 1\ndirect\n0.000000 0.000000 0.000000 Ce\n0.385448 0.385448 0.229104 Ga\n0.614552 0.614552 0.770896 Ga\n0.250000 0.750000 0.500000 Ga\n0.750000 0.250000 0.500000 Pt\n",
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{
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{
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{
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{
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"structure_string": "Ba1 Zn1 Bi4 O8\n1.0\n3.134511 -5.429133 0.000000\n3.134511 5.429133 0.000000\n0.000000 0.000000 7.449463\nBa Zn Bi O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Zn\n0.333333 0.666667 0.717450 Bi\n0.666667 0.333333 0.717450 Bi\n0.333333 0.666667 0.282550 Bi\n0.666667 0.333333 0.282550 Bi\n0.277572 0.277572 0.695803 O\n0.722428 0.000000 0.695803 O\n0.000000 0.722428 0.695803 O\n0.722428 0.722428 0.304197 O\n0.000000 0.277572 0.304197 O\n0.277572 0.000000 0.304197 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n",
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{
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}