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{
"id": "mp-1224701",
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"structure_string": "K8 U10 B4 O42\n1.0\n7.091349 0.000000 -0.018946\n0.000000 11.953043 0.000000\n0.011932 0.000000 13.462102\nK U B O\n8 10 4 42\ndirect\n0.497473 0.339948 0.917693 K\n0.502454 0.841809 0.584102 K\n0.502454 0.658191 0.084102 K\n0.497473 0.160052 0.417693 K\n0.497158 0.509742 0.369915 K\n0.503290 0.013162 0.127713 K\n0.503290 0.486838 0.627713 K\n0.497158 0.990258 0.869915 K\n0.004917 0.622126 0.253774 U\n0.995213 0.122176 0.246252 U\n0.995213 0.377824 0.746252 U\n0.004917 0.877874 0.753774 U\n0.995188 0.652657 0.536973 U\n0.004657 0.152870 0.963099 U\n0.004657 0.347130 0.463099 U\n0.995188 0.847343 0.036973 U\n0.000198 0.500153 0.999997 U\n0.000198 0.999847 0.499997 U\n0.973220 0.846568 0.309873 B\n0.027030 0.346370 0.190055 B\n0.027030 0.153630 0.690055 B\n0.973220 0.653432 0.809873 B\n0.256919 0.652640 0.540327 O\n0.743579 0.152493 0.960335 O\n0.743579 0.347507 0.460335 O\n0.256919 0.847360 0.040327 O\n0.951846 0.543203 0.834874 O\n0.047731 0.043291 0.664865 O\n0.047731 0.456709 0.164865 O\n0.951846 0.956797 0.334874 O\n0.982496 0.816278 0.211841 O\n0.017644 0.316205 0.288113 O\n0.017644 0.183795 0.788113 O\n0.982496 0.683722 0.711841 O\n0.008099 0.531145 0.403276 O\n0.991728 0.030619 0.097216 O\n0.991728 0.469381 0.597216 O\n0.008099 0.968855 0.903276 O\n0.260263 0.512620 0.984263 O\n0.739929 0.011911 0.515543 O\n0.739929 0.488089 0.015543 O\n0.260263 0.987380 0.484263 O\n0.004437 0.342485 0.917661 O\n0.995752 0.842407 0.582246 O\n0.995752 0.657593 0.082246 O\n0.004437 0.157515 0.417661 O\n0.732750 0.650614 0.534398 O\n0.266801 0.150321 0.966187 O\n0.266801 0.349679 0.466187 O\n0.732750 0.849386 0.034398 O\n0.265250 0.634690 0.254017 O\n0.734367 0.134116 0.245951 O\n0.734367 0.365884 0.745951 O\n0.265250 0.865310 0.754017 O\n0.985147 0.762857 0.380631 O\n0.014847 0.262488 0.119481 O\n0.014847 0.237512 0.619481 O\n0.985147 0.737143 0.880631 O\n0.745067 0.611101 0.250522 O\n0.255208 0.109826 0.249535 O\n0.255208 0.390174 0.749535 O\n0.745067 0.888899 0.750522 O\n0.513340 0.357826 0.193275 O\n0.513340 0.142174 0.693275 O\n",
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"spacegroup": 7
},
{
"id": "mp-735541",
"created_at": "2022-09-04T14:46:52.851389Z",
"structure_string": "Ni4 Sn8 H48 O24 F24\n1.0\n6.554052 0.039781 2.060863\n-1.004914 -6.684648 12.577200\n-2.036021 -13.552218 -3.110315\nNi Sn H O F\n4 8 48 24 24\ndirect\n0.000263 0.999876 0.500038 Ni\n0.999883 0.499967 0.249967 Ni\n0.999810 0.499978 0.750012 Ni\n0.000078 0.000043 0.000007 Ni\n0.667362 0.835914 0.261922 Sn\n0.667138 0.335934 0.012033 Sn\n0.667401 0.835906 0.762098 Sn\n0.667351 0.335987 0.512108 Sn\n0.332640 0.664018 0.488021 Sn\n0.332649 0.164028 0.237909 Sn\n0.332662 0.664095 0.987848 Sn\n0.332582 0.164208 0.738033 Sn\n0.902725 0.627353 0.558849 H\n0.902640 0.127365 0.308795 H\n0.902385 0.627367 0.058746 H\n0.902720 0.127406 0.808816 H\n0.097267 0.872640 0.191145 H\n0.097255 0.372583 0.941214 H\n0.097726 0.872667 0.691238 H\n0.097387 0.372635 0.441223 H\n0.740488 0.541671 0.359512 H\n0.740597 0.041565 0.109584 H\n0.740494 0.541541 0.859677 H\n0.740629 0.041515 0.609700 H\n0.259713 0.958441 0.390330 H\n0.259392 0.458565 0.140226 H\n0.259422 0.958510 0.890326 H\n0.259405 0.458395 0.640522 H\n0.758967 0.874052 0.533528 H\n0.758708 0.374070 0.283577 H\n0.758627 0.874212 0.033479 H\n0.758572 0.374200 0.783512 H\n0.241024 0.625944 0.216478 H\n0.241264 0.125828 0.966569 H\n0.241215 0.625779 0.716580 H\n0.241228 0.125870 0.466523 H\n0.789128 0.681264 0.625012 H\n0.789139 0.181211 0.375013 H\n0.788830 0.681317 0.124890 H\n0.789102 0.181309 0.874969 H\n0.210884 0.818723 0.124952 H\n0.210901 0.318697 0.875066 H\n0.211345 0.818607 0.625156 H\n0.210967 0.318721 0.375068 H\n0.918226 0.596709 0.379250 H\n0.918306 0.096713 0.129393 H\n0.918274 0.596673 0.879376 H\n0.918289 0.096650 0.629382 H\n0.082002 0.903289 0.370683 H\n0.081664 0.403353 0.120505 H\n0.081738 0.903345 0.870592 H\n0.081811 0.403272 0.620669 H\n0.648938 0.960688 0.426230 H\n0.648509 0.460761 0.176201 H\n0.648082 0.960966 0.926134 H\n0.648012 0.460886 0.676137 H\n0.351122 0.539339 0.323787 H\n0.351884 0.039109 0.073901 H\n0.351717 0.539080 0.823887 H\n0.351518 0.039247 0.573862 H\n0.827901 0.615775 0.612286 O\n0.827966 0.115735 0.362261 O\n0.827369 0.615862 0.112088 O\n0.827796 0.115821 0.862186 O\n0.172088 0.884210 0.137726 O\n0.172116 0.384193 0.887819 O\n0.172660 0.884123 0.637897 O\n0.172121 0.384227 0.387786 O\n0.831912 0.576675 0.326100 O\n0.832131 0.076558 0.076243 O\n0.832083 0.576419 0.826345 O\n0.832339 0.076255 0.576373 O\n0.168428 0.923424 0.423743 O\n0.167405 0.423883 0.173419 O\n0.167866 0.923619 0.923645 O\n0.167968 0.423366 0.673870 O\n0.785595 0.918919 0.473120 O\n0.785271 0.418963 0.223037 O\n0.784868 0.919405 0.973120 O\n0.784769 0.419274 0.723022 O\n0.214431 0.581052 0.276873 O\n0.215018 0.080865 0.027120 O\n0.214860 0.580729 0.777013 O\n0.214722 0.080995 0.526998 O\n0.716220 0.795879 0.133125 F\n0.716467 0.295837 0.883272 F\n0.716433 0.795908 0.633275 F\n0.716583 0.295870 0.383303 F\n0.283620 0.704175 0.616705 F\n0.283399 0.204131 0.366706 F\n0.283691 0.704151 0.116669 F\n0.283288 0.204120 0.866761 F\n0.578211 0.985873 0.160501 F\n0.578198 0.485898 0.910546 F\n0.578064 0.985871 0.660547 F\n0.578088 0.485880 0.410528 F\n0.421859 0.514083 0.589498 F\n0.421933 0.014112 0.339463 F\n0.421923 0.514112 0.089443 F\n0.421877 0.014112 0.839461 F\n0.970191 0.855555 0.284728 F\n0.970244 0.355239 0.034656 F\n0.969966 0.855660 0.784614 F\n0.970036 0.355506 0.534814 F\n0.030120 0.644250 0.465419 F\n0.030028 0.144385 0.215237 F\n0.029944 0.644550 0.965132 F\n0.029877 0.144438 0.715249 F\n",
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],
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"formula_full": "Ni4 Sn8 H48 O24 F24",
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"energy": -565.30474927,
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{
"id": "mp-758412",
"created_at": "2022-09-04T14:41:01.952063Z",
"structure_string": "Li8 Mn7 Co1 P12 O48\n1.0\n8.540581 0.000000 0.000000\n0.082302 8.772988 0.000000\n0.028983 0.039154 11.920564\nLi Mn Co P O\n8 7 1 12 48\ndirect\n0.215561 0.721658 0.181394 Li\n0.214860 0.776336 0.818903 Li\n0.286013 0.223050 0.318613 Li\n0.284871 0.279704 0.681200 Li\n0.716237 0.720704 0.320361 Li\n0.715288 0.775117 0.681353 Li\n0.784509 0.223466 0.181495 Li\n0.784153 0.279225 0.816622 Li\n0.246251 0.962315 0.612898 Mn\n0.249741 0.534316 0.385556 Mn\n0.251607 0.036376 0.113430 Mn\n0.249951 0.465098 0.885382 Mn\n0.748423 0.535686 0.114908 Mn\n0.747804 0.964035 0.886794 Mn\n0.752098 0.036564 0.385766 Mn\n0.752345 0.464997 0.615527 Co\n0.033467 0.248966 0.501587 P\n0.105303 0.394376 0.146746 P\n0.105360 0.105102 0.851588 P\n0.396289 0.606068 0.644895 P\n0.394154 0.893436 0.352432 P\n0.464884 0.751978 0.999516 P\n0.535401 0.248701 0.999759 P\n0.607117 0.395819 0.355907 P\n0.605966 0.108366 0.645845 P\n0.893123 0.605781 0.853364 P\n0.894123 0.894301 0.147684 P\n0.964291 0.746388 0.501414 P\n0.059304 0.642079 0.424578 O\n0.057689 0.856008 0.576713 O\n0.075354 0.897172 0.157987 O\n0.074213 0.605691 0.842765 O\n0.143365 0.158156 0.584719 O\n0.143709 0.332158 0.419752 O\n0.155034 0.438508 0.028609 O\n0.154694 0.059736 0.971028 O\n0.159750 0.231025 0.179910 O\n0.157172 0.264094 0.817622 O\n0.177798 0.514407 0.226584 O\n0.178748 0.981222 0.772926 O\n0.320775 0.017038 0.273753 O\n0.321028 0.487993 0.725646 O\n0.340698 0.770252 0.677409 O\n0.341520 0.734260 0.319305 O\n0.345047 0.562336 0.527348 O\n0.345526 0.939005 0.472260 O\n0.357173 0.839818 0.084671 O\n0.358608 0.669284 0.917083 O\n0.423994 0.103464 0.656946 O\n0.425801 0.396338 0.342326 O\n0.441747 0.140663 0.076145 O\n0.441862 0.356470 0.924236 O\n0.557427 0.643971 0.075458 O\n0.559242 0.860262 0.923512 O\n0.576817 0.604217 0.656727 O\n0.574931 0.895873 0.342112 O\n0.642906 0.332575 0.081198 O\n0.644607 0.159924 0.915682 O\n0.654741 0.060347 0.527344 O\n0.656350 0.441442 0.472631 O\n0.659182 0.232391 0.320855 O\n0.658029 0.270354 0.677524 O\n0.677655 0.515095 0.273169 O\n0.678738 0.985823 0.726158 O\n0.821221 0.017425 0.226823 O\n0.820999 0.486110 0.773353 O\n0.842562 0.735051 0.181549 O\n0.839318 0.770285 0.820986 O\n0.845068 0.562781 0.972285 O\n0.845262 0.939792 0.028173 O\n0.855393 0.659343 0.583043 O\n0.856484 0.837117 0.418764 O\n0.924021 0.102239 0.841172 O\n0.924968 0.395230 0.158899 O\n0.943451 0.140689 0.424088 O\n0.940832 0.356552 0.577236 O\n",
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"formula_full": "Li8 Mn7 Co1 P12 O48",
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{
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"structure_string": "Mn16 V8 H8 O40\n1.0\n0.000000 6.233369 0.000000\n0.000000 0.000000 9.299089\n15.093292 0.000000 0.000000\nMn V H O\n16 8 8 40\ndirect\n0.250000 0.418044 0.571406 Mn\n0.250000 0.081956 0.071406 Mn\n0.750000 0.581956 0.428594 Mn\n0.750000 0.918044 0.928594 Mn\n0.250000 0.340911 0.788545 Mn\n0.250000 0.159089 0.288545 Mn\n0.750000 0.659089 0.211455 Mn\n0.750000 0.840911 0.711455 Mn\n0.002728 0.623741 0.862288 Mn\n0.497272 0.876259 0.362288 Mn\n0.502728 0.376259 0.137712 Mn\n0.997272 0.123741 0.637712 Mn\n0.997272 0.376259 0.137712 Mn\n0.502728 0.123741 0.637712 Mn\n0.497272 0.623741 0.862288 Mn\n0.002728 0.876259 0.362288 Mn\n0.750000 0.313074 0.925435 V\n0.750000 0.186926 0.425435 V\n0.250000 0.686926 0.074565 V\n0.250000 0.813074 0.574565 V\n0.750000 0.472485 0.665762 V\n0.750000 0.027515 0.165762 V\n0.250000 0.527515 0.334238 V\n0.250000 0.972485 0.834238 V\n0.250000 0.608602 0.714500 H\n0.250000 0.891398 0.214500 H\n0.750000 0.391398 0.285500 H\n0.750000 0.108602 0.785500 H\n0.250000 0.158487 0.493186 H\n0.250000 0.341513 0.993186 H\n0.750000 0.841513 0.506814 H\n0.750000 0.658487 0.006814 H\n0.516538 0.388775 0.878556 O\n0.983462 0.111225 0.378556 O\n0.016538 0.611225 0.121444 O\n0.483462 0.888775 0.621444 O\n0.483462 0.611225 0.121444 O\n0.016538 0.888775 0.621444 O\n0.983462 0.388775 0.878556 O\n0.516538 0.111225 0.378556 O\n0.250000 0.631697 0.596995 O\n0.250000 0.868303 0.096995 O\n0.750000 0.368303 0.403005 O\n0.750000 0.131697 0.903005 O\n0.250000 0.653967 0.960393 O\n0.250000 0.846033 0.460393 O\n0.750000 0.346033 0.039607 O\n0.750000 0.153967 0.539607 O\n0.988156 0.365572 0.670823 O\n0.511844 0.134428 0.170823 O\n0.488156 0.634428 0.329177 O\n0.011844 0.865572 0.829177 O\n0.011844 0.634428 0.329177 O\n0.488156 0.865572 0.829177 O\n0.511844 0.365572 0.670823 O\n0.988156 0.134428 0.170823 O\n0.250000 0.446046 0.434631 O\n0.250000 0.053954 0.934631 O\n0.750000 0.553954 0.565369 O\n0.750000 0.946046 0.065369 O\n0.250000 0.114475 0.751728 O\n0.250000 0.385525 0.251728 O\n0.750000 0.885525 0.248272 O\n0.750000 0.614475 0.748272 O\n0.250000 0.571404 0.775936 O\n0.250000 0.928596 0.275936 O\n0.750000 0.428596 0.224064 O\n0.750000 0.071404 0.724064 O\n0.250000 0.191483 0.554980 O\n0.250000 0.308517 0.054980 O\n0.750000 0.808517 0.445020 O\n0.750000 0.691483 0.945020 O\n",
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{
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