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{
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{
"id": "mp-1178514",
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"structure_string": "Ba2 O2\n1.0\n2.180578 -3.776872 0.000000\n2.180578 3.776872 0.000000\n0.000000 0.000000 6.605576\nBa O\n2 2\ndirect\n0.333333 0.666667 0.989969 Ba\n0.666667 0.333333 0.489969 Ba\n0.333333 0.666667 0.385031 O\n0.666667 0.333333 0.885031 O\n",
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{
"id": "mp-685330",
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"structure_string": "Mn12 Cu6 O24\n1.0\n3.029526 -5.247292 0.000000\n3.029526 5.247292 0.000000\n0.000000 0.000000 14.784085\nMn Cu O\n12 6 24\ndirect\n0.000000 0.000000 0.002294 Mn\n0.167694 0.832306 0.791595 Mn\n0.664612 0.832306 0.791595 Mn\n0.666667 0.333333 0.669465 Mn\n0.167694 0.335388 0.791595 Mn\n0.834634 0.165366 0.457901 Mn\n0.330731 0.165366 0.457901 Mn\n0.834634 0.669269 0.457901 Mn\n0.499729 0.500271 0.126164 Mn\n0.000541 0.500271 0.126164 Mn\n0.666667 0.333333 0.292688 Mn\n0.499729 0.999459 0.126164 Mn\n0.666667 0.333333 0.915485 Cu\n0.333333 0.666667 0.580383 Cu\n0.333333 0.666667 0.958101 Cu\n0.000000 0.000000 0.249761 Cu\n0.000000 0.000000 0.623679 Cu\n0.333333 0.666667 0.333592 Cu\n0.485477 0.970954 0.865979 O\n0.029046 0.514523 0.865979 O\n0.333333 0.666667 0.714041 O\n0.152801 0.305602 0.532408 O\n0.849351 0.150649 0.717049 O\n0.485477 0.514523 0.865979 O\n0.000000 0.000000 0.866010 O\n0.694398 0.847199 0.532408 O\n0.301297 0.150649 0.717049 O\n0.000000 0.000000 0.383195 O\n0.817183 0.634367 0.203149 O\n0.515637 0.484363 0.380259 O\n0.849351 0.698703 0.717049 O\n0.152801 0.847199 0.532408 O\n0.666667 0.333333 0.530551 O\n0.365633 0.182817 0.203149 O\n0.968725 0.484363 0.380259 O\n0.666667 0.333333 0.049604 O\n0.817183 0.182817 0.203149 O\n0.515637 0.031275 0.380259 O\n0.181807 0.818193 0.052010 O\n0.333333 0.666667 0.201613 O\n0.636385 0.818193 0.052010 O\n0.181807 0.363615 0.052010 O\n",
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{
"id": "mp-768452",
"created_at": "2022-09-04T14:39:41.123622Z",
"structure_string": "Li10 Bi4 B8 O24\n1.0\n6.473769 0.000000 0.000000\n0.000000 8.873650 0.000000\n0.000000 4.737101 9.294355\nLi Bi B O\n10 4 8 24\ndirect\n0.976639 0.611835 0.511518 Li\n0.483731 0.403098 0.979349 Li\n0.483944 0.828734 0.451132 Li\n0.971477 0.157337 0.044562 Li\n0.516056 0.828734 0.951132 Li\n0.183392 0.294220 0.166257 Li\n0.028523 0.157337 0.544562 Li\n0.023361 0.611835 0.011518 Li\n0.816608 0.294220 0.666257 Li\n0.516269 0.403098 0.479349 Li\n0.231882 0.800904 0.206426 Bi\n0.768118 0.800904 0.706426 Bi\n0.717504 0.187893 0.296616 Bi\n0.282496 0.187893 0.796616 Bi\n0.080878 0.460073 0.822359 B\n0.593985 0.535269 0.683201 B\n0.572880 0.056896 0.108362 B\n0.077088 0.950505 0.388097 B\n0.427120 0.056896 0.608362 B\n0.922912 0.950505 0.888097 B\n0.919122 0.460073 0.322359 B\n0.406015 0.535269 0.183201 B\n0.544580 0.384704 0.680029 O\n0.046578 0.418858 0.709614 O\n0.185261 0.339403 0.944187 O\n0.697497 0.660409 0.565397 O\n0.554704 0.572428 0.795224 O\n0.473360 0.004120 0.017903 O\n0.182865 0.799682 0.434762 O\n0.016936 0.606700 0.823282 O\n0.549299 0.962430 0.254613 O\n0.066653 0.065451 0.243627 O\n0.683934 0.206741 0.056369 O\n0.964980 0.988978 0.483055 O\n0.526640 0.004120 0.517903 O\n0.817135 0.799682 0.934762 O\n0.450701 0.962430 0.754614 O\n0.933347 0.065451 0.743627 O\n0.455420 0.384704 0.180029 O\n0.316066 0.206741 0.556369 O\n0.035020 0.988978 0.983055 O\n0.953422 0.418858 0.209614 O\n0.814739 0.339403 0.444187 O\n0.302503 0.660409 0.065397 O\n0.445296 0.572428 0.295224 O\n0.983064 0.606700 0.323282 O\n",
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{
"id": "mp-849327",
"created_at": "2022-09-04T14:39:41.153534Z",
"structure_string": "Li8 Cu4 P12 O36\n1.0\n8.523692 0.000000 0.000000\n0.000000 8.966274 0.000000\n0.000000 0.000000 8.967528\nLi Cu P O\n8 4 12 36\ndirect\n0.639184 0.838211 0.324975 Li\n0.007742 0.951934 0.970097 Li\n0.492258 0.048066 0.470097 Li\n0.860816 0.161789 0.824975 Li\n0.360816 0.338211 0.175025 Li\n0.992258 0.451934 0.529903 Li\n0.507742 0.548066 0.029903 Li\n0.139184 0.661789 0.675025 Li\n0.848178 0.869392 0.604317 Cu\n0.651822 0.130608 0.104317 Cu\n0.151822 0.369392 0.895683 Cu\n0.348178 0.630608 0.395683 Cu\n0.705292 0.801363 0.935436 P\n0.468574 0.816586 0.681301 P\n0.314668 0.989297 0.192272 P\n0.185332 0.010703 0.692272 P\n0.031426 0.183414 0.181301 P\n0.794708 0.198637 0.435436 P\n0.294708 0.301363 0.564564 P\n0.531426 0.316586 0.818699 P\n0.685332 0.489297 0.307728 P\n0.814668 0.510703 0.807728 P\n0.968574 0.683414 0.318699 P\n0.205292 0.698637 0.064564 P\n0.547254 0.772293 0.838732 O\n0.868746 0.811466 0.368167 O\n0.655683 0.836559 0.090685 O\n0.271701 0.870039 0.060760 O\n0.591603 0.880792 0.577922 O\n0.095436 0.883361 0.625717 O\n0.383138 0.911538 0.326180 O\n0.821300 0.899519 0.854160 O\n0.361309 0.956567 0.734692 O\n0.138691 0.043433 0.234692 O\n0.678700 0.100481 0.354160 O\n0.116862 0.088462 0.826180 O\n0.404564 0.116639 0.125717 O\n0.908397 0.119208 0.077922 O\n0.228299 0.129961 0.560760 O\n0.844317 0.163441 0.590685 O\n0.631254 0.188534 0.868167 O\n0.952746 0.227707 0.338732 O\n0.452746 0.272293 0.661268 O\n0.131254 0.311466 0.131833 O\n0.344317 0.336559 0.409315 O\n0.728299 0.370039 0.439240 O\n0.408397 0.380792 0.922078 O\n0.904564 0.383361 0.874283 O\n0.616862 0.411538 0.173820 O\n0.178700 0.399519 0.645840 O\n0.638691 0.456567 0.765308 O\n0.861309 0.543433 0.265308 O\n0.321300 0.600481 0.145840 O\n0.883138 0.588462 0.673820 O\n0.595436 0.616639 0.374283 O\n0.091603 0.619208 0.422078 O\n0.771701 0.629961 0.939240 O\n0.155683 0.663441 0.909315 O\n0.368746 0.688534 0.631833 O\n0.047254 0.727707 0.161268 O\n",
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{
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"structure_string": "Li2 V2 O6\n1.0\n4.194154 2.629507 0.000000\n-4.194154 2.629507 0.000000\n0.000000 2.203326 4.893140\nLi V O\n2 2 6\ndirect\n0.506660 0.493340 0.500000 Li\n0.868570 0.131430 0.500000 Li\n0.322173 0.677827 0.000000 V\n0.673923 0.326077 0.000000 V\n0.670076 0.681482 0.764604 O\n0.318518 0.329924 0.235396 O\n0.904673 0.525253 0.218764 O\n0.474747 0.095327 0.781236 O\n0.536030 0.917221 0.211574 O\n0.082779 0.463970 0.788426 O\n",
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{
"id": "mp-1181685",
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"structure_string": "Cu12 H16 Se4 O32\n1.0\n7.737848 0.189289 -0.003387\n0.153835 6.723823 -0.083562\n-0.007540 -0.169887 15.014718\nCu H Se O\n12 16 4 32\ndirect\n0.408186 0.246584 0.450017 Cu\n0.910090 0.254941 0.049575 Cu\n0.590824 0.751383 0.553007 Cu\n0.098377 0.744430 0.947876 Cu\n0.646120 0.981212 0.376528 Cu\n0.175824 0.523007 0.134711 Cu\n0.355294 0.474937 0.622653 Cu\n0.798566 0.987131 0.881478 Cu\n0.294509 0.989275 0.614959 Cu\n0.860526 0.469710 0.875770 Cu\n0.693679 0.491442 0.386964 Cu\n0.175769 0.007049 0.110218 Cu\n0.117413 0.238113 0.747679 H\n0.618714 0.231481 0.752116 H\n0.891800 0.698676 0.257846 H\n0.379505 0.803510 0.246555 H\n0.646529 0.710202 0.105199 H\n0.158509 0.667776 0.393523 H\n0.358793 0.192164 0.896393 H\n0.857726 0.204723 0.605105 H\n0.103480 0.866151 0.443806 H\n0.584446 0.647579 0.974752 H\n0.898257 0.386166 0.547493 H\n0.403742 0.158692 0.024762 H\n0.912503 0.136496 0.476071 H\n0.397419 0.390403 0.947931 H\n0.089717 0.643010 0.523748 H\n0.617006 0.892538 0.045609 H\n0.526818 0.250984 0.168647 Se\n0.028485 0.216379 0.333933 Se\n0.466621 0.732810 0.830715 Se\n0.968836 0.736618 0.668951 Se\n0.740367 0.246145 0.144170 O\n0.242991 0.235554 0.352216 O\n0.252178 0.780044 0.849323 O\n0.753332 0.771527 0.650873 O\n0.857583 0.227925 0.931989 O\n0.353405 0.227427 0.566974 O\n0.141299 0.754917 0.066198 O\n0.640408 0.742379 0.434400 O\n0.441643 0.074751 0.081690 O\n0.943916 0.437636 0.378041 O\n0.533147 0.567460 0.920909 O\n0.047685 0.954697 0.631049 O\n0.549621 0.951078 0.869542 O\n0.040719 0.566360 0.578611 O\n0.445208 0.470803 0.129410 O\n0.959760 0.049880 0.420777 O\n0.591504 0.249895 0.370419 O\n0.093905 0.267559 0.128075 O\n0.403720 0.739639 0.629935 O\n0.905496 0.733657 0.873131 O\n0.830311 0.263898 0.547237 O\n0.329511 0.268062 0.951530 O\n0.175650 0.739770 0.450507 O\n0.677388 0.759543 0.046602 O\n0.834889 0.364553 0.756936 O\n0.242852 0.197696 0.748929 O\n0.256193 0.850576 0.243017 O\n0.765224 0.675496 0.253148 O\n0.162409 0.670585 0.249244 O\n0.682683 0.869683 0.258287 O\n0.742462 0.184500 0.750675 O\n0.328457 0.380738 0.741566 O\n",
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{
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],
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},
{
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"formula_full": "Rb12 Co4 O14",
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},
{
"id": "mp-746690",
"created_at": "2022-09-04T14:39:41.670228Z",
"structure_string": "Fe2 P6 H12 O18\n1.0\n3.236158 6.891657 0.000000\n-3.236158 6.891657 0.000000\n0.000000 2.699679 9.504749\nFe P H O\n2 6 12 18\ndirect\n0.296224 0.096922 0.356941 Fe\n0.096922 0.296224 0.856941 Fe\n0.611115 0.787756 0.935271 P\n0.787756 0.611115 0.435271 P\n0.136208 0.952441 0.680031 P\n0.952441 0.136208 0.180031 P\n0.388605 0.328967 0.553943 P\n0.328967 0.388605 0.053943 P\n0.722943 0.848807 0.982361 H\n0.848807 0.722943 0.482361 H\n0.343778 0.793188 0.738482 H\n0.793188 0.343778 0.238482 H\n0.603958 0.219503 0.595305 H\n0.219503 0.603958 0.095305 H\n0.404755 0.801463 0.137689 H\n0.801463 0.404755 0.637689 H\n0.722200 0.045234 0.221893 H\n0.045234 0.722200 0.721893 H\n0.671396 0.294847 0.957472 H\n0.294847 0.671396 0.457472 H\n0.411481 0.003241 0.859398 O\n0.003241 0.411481 0.359398 O\n0.596510 0.782819 0.341406 O\n0.782819 0.596510 0.841406 O\n0.523150 0.686785 0.068861 O\n0.686785 0.523150 0.568861 O\n0.179089 0.949646 0.519894 O\n0.949646 0.179089 0.019894 O\n0.188023 0.013591 0.226233 O\n0.013591 0.188023 0.726233 O\n0.874081 0.980841 0.247265 O\n0.980841 0.874081 0.747265 O\n0.435198 0.202808 0.180392 O\n0.202808 0.435198 0.680392 O\n0.528359 0.340878 0.931076 O\n0.340878 0.528359 0.431076 O\n0.410690 0.150898 0.491984 O\n0.150898 0.410690 0.991984 O\n",
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],
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"formula_full": "Fe2 P6 H12 O18",
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"spacegroup": 9
},
{
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"created_at": "2022-09-04T14:39:41.761930Z",
"structure_string": "V2 Ag4 P2 O12\n1.0\n3.174631 6.302952 0.000000\n-3.174631 6.302952 0.000000\n0.000000 0.003739 6.434551\nV Ag P O\n2 4 2 12\ndirect\n0.614847 0.614847 0.086458 V\n0.385153 0.385153 0.913542 V\n0.364077 0.875763 0.618660 Ag\n0.875763 0.364077 0.618660 Ag\n0.635923 0.124237 0.381340 Ag\n0.124237 0.635923 0.381340 Ag\n0.846591 0.846591 0.849308 P\n0.153409 0.153409 0.150692 P\n0.510074 0.510074 0.796868 O\n0.098542 0.098542 0.365013 O\n0.315261 0.922201 0.023476 O\n0.301053 0.301053 0.714161 O\n0.684739 0.077799 0.976524 O\n0.276873 0.276873 0.173786 O\n0.922201 0.315261 0.023476 O\n0.901458 0.901458 0.634987 O\n0.698947 0.698947 0.285839 O\n0.489926 0.489926 0.203132 O\n0.077799 0.684739 0.976524 O\n0.723127 0.723127 0.826214 O\n",
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"elements": [
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],
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},
{
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"structure_string": "Rb6 Ge2 P2 Se14\n1.0\n-7.425431 0.000000 0.000000\n3.657693 9.319540 0.000000\n-0.099877 -2.530301 -11.932432\nRb Ge P Se\n6 2 2 14\ndirect\n0.940801 0.480175 0.210326 Rb\n0.059199 0.519825 0.789674 Rb\n0.319708 0.125819 0.604019 Rb\n0.680292 0.874181 0.395981 Rb\n0.385522 0.194052 0.988783 Rb\n0.614478 0.805948 0.011217 Rb\n0.601050 0.563578 0.628096 Ge\n0.398950 0.436422 0.371904 Ge\n0.769355 0.071415 0.780625 P\n0.230645 0.928585 0.219375 P\n0.890019 0.223708 0.943455 Se\n0.109981 0.776292 0.056545 Se\n0.955510 0.934579 0.805193 Se\n0.044490 0.065421 0.194807 Se\n0.916761 0.762608 0.633293 Se\n0.083239 0.237392 0.366707 Se\n0.650451 0.391579 0.468841 Se\n0.349549 0.608421 0.531159 Se\n0.530571 0.484654 0.794039 Se\n0.469429 0.515346 0.205961 Se\n0.536216 0.070262 0.224061 Se\n0.463784 0.929738 0.775939 Se\n0.846293 0.166753 0.632194 Se\n0.153707 0.833247 0.367806 Se\n",
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}
]
}