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{
"id": "mp-774614",
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"structure_string": "Cr8 P16 O48\n1.0\n7.333357 0.000000 0.000000\n0.000000 9.348215 0.000000\n0.000000 0.000000 13.725559\nCr P O\n8 16 48\ndirect\n0.448632 0.007930 0.716973 Cr\n0.948632 0.007930 0.783027 Cr\n0.948632 0.492070 0.283027 Cr\n0.448632 0.492070 0.216973 Cr\n0.051368 0.507930 0.716973 Cr\n0.551368 0.507930 0.783027 Cr\n0.051368 0.992070 0.216973 Cr\n0.551368 0.992070 0.283027 Cr\n0.570348 0.204592 0.899873 P\n0.070348 0.204592 0.600127 P\n0.671583 0.220466 0.105416 P\n0.171583 0.220466 0.394584 P\n0.671583 0.279534 0.605416 P\n0.171583 0.279534 0.894584 P\n0.070348 0.295408 0.100127 P\n0.570348 0.295408 0.399873 P\n0.929652 0.704592 0.899873 P\n0.429652 0.704592 0.600127 P\n0.828417 0.720466 0.105416 P\n0.328417 0.720466 0.394584 P\n0.328417 0.779534 0.894584 P\n0.828417 0.779534 0.605416 P\n0.429652 0.795408 0.100127 P\n0.929652 0.795408 0.399873 P\n0.622880 0.097119 0.822259 O\n0.122880 0.097119 0.677741 O\n0.208670 0.103948 0.320707 O\n0.708670 0.103948 0.179293 O\n0.642680 0.141835 0.001696 O\n0.142680 0.141835 0.498304 O\n0.625122 0.141620 0.388372 O\n0.125122 0.141620 0.111628 O\n0.353036 0.188012 0.912257 O\n0.853036 0.188012 0.587743 O\n0.519753 0.175598 0.623667 O\n0.019753 0.175598 0.876333 O\n0.519753 0.324402 0.123667 O\n0.019753 0.324402 0.376333 O\n0.853036 0.311988 0.087743 O\n0.353036 0.311988 0.412257 O\n0.125122 0.358380 0.611628 O\n0.625122 0.358380 0.888372 O\n0.642680 0.358165 0.501696 O\n0.142680 0.358165 0.998304 O\n0.708670 0.396052 0.679293 O\n0.208670 0.396052 0.820707 O\n0.122880 0.402881 0.177741 O\n0.622880 0.402881 0.322259 O\n0.377120 0.597119 0.677741 O\n0.877120 0.597119 0.822259 O\n0.791330 0.603948 0.179293 O\n0.291330 0.603948 0.320707 O\n0.857320 0.641835 0.001696 O\n0.357320 0.641835 0.498304 O\n0.374878 0.641620 0.111628 O\n0.874878 0.641620 0.388372 O\n0.146964 0.688012 0.912257 O\n0.646964 0.688012 0.587743 O\n0.480247 0.675598 0.876333 O\n0.980247 0.675598 0.623667 O\n0.980247 0.824402 0.123667 O\n0.480247 0.824402 0.376333 O\n0.646964 0.811988 0.087743 O\n0.146964 0.811988 0.412257 O\n0.874878 0.858380 0.888372 O\n0.374878 0.858380 0.611628 O\n0.857320 0.858165 0.501696 O\n0.357320 0.858165 0.998304 O\n0.791330 0.896052 0.679293 O\n0.291330 0.896052 0.820707 O\n0.377120 0.902881 0.177741 O\n0.877120 0.902881 0.322259 O\n",
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"formula_full": "Cr8 P16 O48",
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},
{
"id": "mp-780864",
"created_at": "2022-09-04T14:46:42.518027Z",
"structure_string": "Li4 Mn8 P8 H20 O44\n1.0\n9.803166 0.000000 0.000000\n0.000000 9.139333 0.000000\n0.000000 6.962220 9.574784\nLi Mn P H O\n4 8 8 20 44\ndirect\n0.696571 0.442484 0.013566 Li\n0.803429 0.442484 0.513566 Li\n0.196571 0.557516 0.486434 Li\n0.303429 0.557516 0.986434 Li\n0.720582 0.709171 0.087646 Mn\n0.920924 0.038999 0.094048 Mn\n0.220582 0.290829 0.412354 Mn\n0.420924 0.961001 0.405952 Mn\n0.579076 0.038999 0.594048 Mn\n0.779418 0.709171 0.587646 Mn\n0.079076 0.961001 0.905952 Mn\n0.279418 0.290829 0.912354 Mn\n0.024871 0.645428 0.219092 P\n0.157836 0.178607 0.204094 P\n0.524871 0.354572 0.280908 P\n0.657836 0.821393 0.295906 P\n0.342164 0.178607 0.704094 P\n0.475129 0.645428 0.719092 P\n0.842164 0.821393 0.795906 P\n0.975129 0.354572 0.780908 P\n0.454035 0.842202 0.037448 H\n0.346071 0.669646 0.208705 H\n0.223625 0.954211 0.076179 H\n0.497818 0.083157 0.118104 H\n0.846071 0.330354 0.291295 H\n0.894690 0.181219 0.271462 H\n0.394690 0.818781 0.228538 H\n0.997818 0.916843 0.381896 H\n0.723625 0.045789 0.423821 H\n0.954035 0.157798 0.462552 H\n0.045965 0.842202 0.537448 H\n0.276375 0.954211 0.576179 H\n0.002182 0.083157 0.618104 H\n0.605310 0.181219 0.771462 H\n0.105310 0.818781 0.728538 H\n0.153929 0.669646 0.708705 H\n0.502182 0.916843 0.881896 H\n0.776375 0.045789 0.923821 H\n0.653929 0.330354 0.791295 H\n0.545965 0.157798 0.962552 H\n0.098361 0.716640 0.078098 O\n0.479977 0.173974 0.018478 O\n0.341476 0.800969 0.166400 O\n0.220030 0.319881 0.056111 O\n0.166364 0.060027 0.999957 O\n0.641273 0.717266 0.230756 O\n0.625161 0.475451 0.156978 O\n0.891166 0.547339 0.233950 O\n0.391166 0.452661 0.266050 O\n0.125161 0.524549 0.343022 O\n0.008063 0.132436 0.189038 O\n0.141273 0.282734 0.269244 O\n0.740900 0.995135 0.207885 O\n0.493653 0.197760 0.267899 O\n0.841476 0.199031 0.333600 O\n0.993653 0.802240 0.232101 O\n0.240900 0.004865 0.292115 O\n0.508063 0.867564 0.310962 O\n0.598361 0.283360 0.421902 O\n0.020023 0.173974 0.518478 O\n0.279970 0.319881 0.556111 O\n0.333636 0.060027 0.499957 O\n0.666364 0.939973 0.500043 O\n0.720030 0.680119 0.443889 O\n0.979977 0.826026 0.481522 O\n0.401639 0.716640 0.578098 O\n0.491937 0.132436 0.689038 O\n0.759100 0.995135 0.707885 O\n0.006347 0.197760 0.767899 O\n0.158524 0.800969 0.666400 O\n0.506347 0.802240 0.732101 O\n0.259100 0.004865 0.792115 O\n0.858727 0.717266 0.730756 O\n0.991937 0.867564 0.810962 O\n0.874839 0.475451 0.656978 O\n0.608834 0.547339 0.733950 O\n0.108834 0.452661 0.766050 O\n0.374839 0.524549 0.843022 O\n0.358727 0.282734 0.769244 O\n0.833636 0.939973 0.000043 O\n0.779970 0.680119 0.943889 O\n0.658524 0.199031 0.833600 O\n0.520023 0.826026 0.981522 O\n0.901639 0.283360 0.921902 O\n",
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"elements": [
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"volume": 857.8470135181796,
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"formula_full": "Li4 Mn8 P8 H20 O44",
"formula_reduced": "LiMn2P2H5O11",
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{
"id": "mp-1029869",
"created_at": "2022-09-04T14:43:09.944647Z",
"structure_string": "K30 Mo14 N38\n1.0\n6.824866 0.000000 0.000000\n-2.159795 12.423297 0.000000\n-1.450433 -0.483780 19.631993\nK Mo N\n30 14 38\ndirect\n0.522995 0.623733 0.440254 K\n0.477005 0.376267 0.559746 K\n0.615166 0.133725 0.650919 K\n0.384834 0.866275 0.349081 K\n0.723276 0.022090 0.194606 K\n0.276724 0.977910 0.805394 K\n0.935730 0.036146 0.386378 K\n0.064270 0.963854 0.613622 K\n0.783401 0.759184 0.281977 K\n0.216599 0.240816 0.718023 K\n0.853785 0.168528 0.836307 K\n0.146215 0.831472 0.163693 K\n0.868668 0.902457 0.898330 K\n0.131332 0.097543 0.101670 K\n0.719859 0.082237 0.006001 K\n0.280141 0.917763 0.993999 K\n0.610959 0.896461 0.528220 K\n0.389041 0.103539 0.471780 K\n0.610284 0.461939 0.286436 K\n0.389716 0.538061 0.713564 K\n0.972999 0.343485 0.013840 K\n0.027001 0.656515 0.986160 K\n0.909472 0.668398 0.789876 K\n0.090528 0.331602 0.210124 K\n0.745353 0.257204 0.385695 K\n0.254647 0.742796 0.614305 K\n0.602438 0.379606 0.841380 K\n0.397562 0.620394 0.158620 K\n0.000000 0.500000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.581294 0.270906 0.124850 Mo\n0.418706 0.729094 0.875150 Mo\n0.856475 0.409403 0.686524 Mo\n0.143525 0.590597 0.313476 Mo\n0.748663 0.660893 0.607284 Mo\n0.251337 0.339107 0.392716 Mo\n0.991695 0.776924 0.450129 Mo\n0.008305 0.223076 0.549871 Mo\n0.866611 0.550275 0.140681 Mo\n0.133389 0.449725 0.859319 Mo\n0.658271 0.880473 0.726037 Mo\n0.341729 0.119527 0.273963 Mo\n0.683394 0.793008 0.054732 Mo\n0.316606 0.206992 0.945268 Mo\n0.797729 0.209824 0.121102 N\n0.202271 0.790176 0.878898 N\n0.935078 0.322218 0.618651 N\n0.064922 0.677782 0.381349 N\n0.551322 0.071814 0.316826 N\n0.448678 0.928186 0.683174 N\n0.575142 0.796411 0.806525 N\n0.424858 0.203589 0.193475 N\n0.658637 0.425222 0.142854 N\n0.341363 0.574778 0.857146 N\n0.505114 0.394763 0.419631 N\n0.494886 0.605237 0.580369 N\n0.800035 0.116021 0.525185 N\n0.199965 0.883979 0.474815 N\n0.893206 0.698732 0.529842 N\n0.106794 0.301268 0.470158 N\n0.905950 0.893505 0.052562 N\n0.094050 0.106495 0.947438 N\n0.785545 0.831925 0.411068 N\n0.214455 0.168075 0.588932 N\n0.764250 0.784440 0.662751 N\n0.235750 0.215560 0.337249 N\n0.935257 0.480216 0.905576 N\n0.064743 0.519784 0.094424 N\n0.569909 0.757316 0.960907 N\n0.430091 0.242684 0.039093 N\n0.757747 0.662000 0.096662 N\n0.242253 0.338000 0.903338 N\n0.852827 0.994486 0.750096 N\n0.147173 0.005514 0.249904 N\n0.967516 0.594994 0.231903 N\n0.032484 0.405006 0.768097 N\n0.872612 0.554436 0.657626 N\n0.127388 0.445564 0.342374 N\n0.606805 0.356242 0.705259 N\n0.393195 0.643758 0.294741 N\n0.504512 0.844659 0.104225 N\n0.495488 0.155341 0.895775 N\n",
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{
"id": "mp-1229136",
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"structure_string": "Ba20 Ru11 Pt1 O48\n1.0\n5.987568 0.000000 0.000000\n0.000000 11.024291 0.000000\n0.000000 0.106453 20.120172\nBa Ru Pt O\n20 11 1 48\ndirect\n0.000000 0.887259 0.969667 Ba\n0.000000 0.387260 0.530482 Ba\n0.500000 0.113005 0.030608 Ba\n0.500000 0.613263 0.469624 Ba\n0.000000 0.697847 0.754822 Ba\n0.000000 0.197629 0.744397 Ba\n0.500000 0.301078 0.245127 Ba\n0.500000 0.802273 0.254886 Ba\n0.000000 0.048010 0.175468 Ba\n0.000000 0.549887 0.325617 Ba\n0.500000 0.951834 0.823845 Ba\n0.500000 0.452123 0.675716 Ba\n0.000000 0.686013 0.130371 Ba\n0.000000 0.185194 0.370600 Ba\n0.500000 0.314524 0.869245 Ba\n0.500000 0.814011 0.630256 Ba\n0.000000 0.525864 0.926327 Ba\n0.000000 0.026003 0.573810 Ba\n0.500000 0.472710 0.073673 Ba\n0.500000 0.973089 0.426016 Ba\n0.000000 0.383511 0.178754 Ru\n0.000000 0.878076 0.326982 Ru\n0.500000 0.621443 0.827265 Ru\n0.500000 0.121773 0.673084 Ru\n0.000000 0.192792 0.927927 Ru\n0.000000 0.695266 0.568910 Ru\n0.500000 0.805026 0.068752 Ru\n0.500000 0.305004 0.430976 Ru\n0.000000 0.785547 0.442340 Ru\n0.500000 0.714702 0.942103 Ru\n0.500000 0.214360 0.557717 Ru\n0.000000 0.283399 0.055256 Pt\n0.228279 0.306648 0.981197 O\n0.773868 0.807204 0.516187 O\n0.724582 0.692571 0.016058 O\n0.274346 0.192860 0.484024 O\n0.275418 0.692571 0.016058 O\n0.725654 0.192860 0.484024 O\n0.771721 0.306648 0.981197 O\n0.226132 0.807204 0.516187 O\n0.000000 0.108277 0.022631 O\n0.000000 0.612144 0.475436 O\n0.500000 0.888491 0.975338 O\n0.500000 0.387614 0.524443 O\n0.232859 0.263223 0.130374 O\n0.761958 0.760352 0.370450 O\n0.736559 0.739974 0.870589 O\n0.262191 0.239711 0.629317 O\n0.263441 0.739974 0.870589 O\n0.737809 0.239711 0.629317 O\n0.767141 0.263223 0.130374 O\n0.238042 0.760352 0.370450 O\n0.000000 0.309466 0.858388 O\n0.000000 0.808584 0.640059 O\n0.500000 0.691066 0.140174 O\n0.500000 0.191507 0.359949 O\n0.765791 0.093455 0.895856 O\n0.232404 0.594933 0.603183 O\n0.267547 0.904468 0.103160 O\n0.732364 0.405070 0.396770 O\n0.732453 0.904468 0.103160 O\n0.267636 0.405070 0.396770 O\n0.234209 0.093455 0.895856 O\n0.767596 0.594933 0.603183 O\n0.000000 0.460416 0.083285 O\n0.000000 0.962951 0.419391 O\n0.500000 0.536191 0.919473 O\n0.500000 0.036887 0.580611 O\n0.000000 0.279033 0.254431 O\n0.000000 0.780914 0.247620 O\n0.500000 0.719502 0.747680 O\n0.500000 0.219084 0.752276 O\n0.767758 0.487152 0.208519 O\n0.227607 0.983730 0.293178 O\n0.272849 0.516421 0.793391 O\n0.727676 0.016277 0.706844 O\n0.727151 0.516421 0.793391 O\n0.272324 0.016277 0.706844 O\n0.232242 0.487152 0.208519 O\n0.772393 0.983730 0.293178 O\n",
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{
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