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{
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"results": [
{
"id": "mp-1175720",
"created_at": "2022-09-04T14:42:47.058711Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.714572 0.000000 0.000000\n2.827621 5.196509 0.000000\n2.771344 1.288921 9.566159\nLi Mn Co O\n9 2 5 16\ndirect\n0.741596 0.751901 0.262962 Li\n0.750232 0.256210 0.744456 Li\n0.746852 0.251671 0.254396 Li\n0.753239 0.748516 0.747774 Li\n0.246761 0.251484 0.252226 Li\n0.253148 0.748329 0.745604 Li\n0.249768 0.743790 0.255544 Li\n0.258404 0.248099 0.737038 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.000000 0.500000 0.500000 Co\n0.000000 0.000000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.500000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Co\n0.631676 0.102749 0.121538 O\n0.642991 0.608228 0.608894 O\n0.626938 0.625685 0.112643 O\n0.635523 0.159870 0.600201 O\n0.147384 0.602488 0.115923 O\n0.105116 0.161126 0.600205 O\n0.122763 0.107650 0.123799 O\n0.142362 0.600694 0.618057 O\n0.857638 0.399306 0.381943 O\n0.877237 0.892350 0.876201 O\n0.894884 0.838874 0.399795 O\n0.852616 0.397512 0.884077 O\n0.364477 0.840130 0.399799 O\n0.373062 0.374315 0.887357 O\n0.357009 0.391772 0.391106 O\n0.368324 0.897251 0.878462 O\n",
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"spacegroup": 2
},
{
"id": "mp-1197566",
"created_at": "2022-09-04T14:48:15.446476Z",
"structure_string": "Na4 Co4 P4 H40 C4 O40\n1.0\n-8.018258 0.000000 2.390287\n0.035188 0.000000 -9.960262\n0.000000 -11.890209 0.000000\nNa Co P H C O\n4 4 4 40 4 40\ndirect\n0.509061 0.541978 0.132105 Na\n0.490939 0.958022 0.632105 Na\n0.490939 0.458022 0.867895 Na\n0.509061 0.041978 0.367895 Na\n0.920315 0.807254 0.144150 Co\n0.079685 0.692746 0.644150 Co\n0.079685 0.192746 0.855850 Co\n0.920315 0.307254 0.355850 Co\n0.005764 0.841559 0.886252 P\n0.994236 0.658441 0.386252 P\n0.994236 0.158441 0.113748 P\n0.005764 0.341559 0.613748 P\n0.874379 0.533316 0.184145 H\n0.125621 0.966684 0.684145 H\n0.125621 0.466684 0.815855 H\n0.874379 0.033316 0.315855 H\n0.833411 0.533615 0.048238 H\n0.166589 0.966385 0.548238 H\n0.166589 0.466385 0.951762 H\n0.833411 0.033615 0.451762 H\n0.677219 0.733255 0.293910 H\n0.322781 0.766745 0.793910 H\n0.322781 0.266745 0.706090 H\n0.677219 0.233255 0.206090 H\n0.603829 0.828516 0.209013 H\n0.396171 0.671484 0.709013 H\n0.396171 0.171484 0.790987 H\n0.603829 0.328516 0.290987 H\n0.138714 0.443507 0.142652 H\n0.861286 0.056493 0.642652 H\n0.861286 0.556493 0.857348 H\n0.138714 0.943507 0.357348 H\n0.179886 0.606827 0.117519 H\n0.820114 0.893173 0.617519 H\n0.820114 0.393173 0.882481 H\n0.179886 0.106827 0.382481 H\n0.531010 0.265009 0.040798 H\n0.468990 0.234991 0.540798 H\n0.468990 0.734991 0.959202 H\n0.531010 0.765009 0.459202 H\n0.342248 0.267629 0.041282 H\n0.657752 0.232371 0.541282 H\n0.657752 0.732371 0.958718 H\n0.342248 0.767629 0.458718 H\n0.536384 0.503765 0.365684 H\n0.463616 0.996235 0.865684 H\n0.463616 0.496235 0.634316 H\n0.536384 0.003765 0.134316 H\n0.365511 0.386260 0.344903 H\n0.634489 0.113740 0.844903 H\n0.634489 0.613740 0.655097 H\n0.365511 0.886260 0.155097 H\n0.190165 0.836816 0.974604 C\n0.809835 0.663184 0.474604 C\n0.809835 0.163184 0.025396 C\n0.190165 0.336816 0.525396 C\n0.864082 0.819796 0.972980 O\n0.135918 0.680204 0.472980 O\n0.135918 0.180204 0.027020 O\n0.864082 0.319796 0.527020 O\n0.981630 0.717211 0.804111 O\n0.018370 0.782789 0.304111 O\n0.018370 0.282789 0.195889 O\n0.981630 0.217211 0.695889 O\n0.047093 0.981271 0.821999 O\n0.952907 0.518729 0.321999 O\n0.952907 0.018729 0.178001 O\n0.047093 0.481271 0.678001 O\n0.168304 0.823854 0.081086 O\n0.831696 0.676146 0.581086 O\n0.831696 0.176146 0.918914 O\n0.168304 0.323854 0.418914 O\n0.327329 0.840143 0.926757 O\n0.672671 0.659857 0.426757 O\n0.672671 0.159857 0.073243 O\n0.327329 0.340143 0.573243 O\n0.828664 0.578510 0.122327 O\n0.171336 0.921490 0.622327 O\n0.171336 0.421490 0.877673 O\n0.828664 0.078510 0.377673 O\n0.671448 0.760548 0.213864 O\n0.328552 0.739452 0.713864 O\n0.328552 0.239452 0.786136 O\n0.671448 0.260548 0.286136 O\n0.211094 0.522674 0.097453 O\n0.788906 0.977326 0.597453 O\n0.788906 0.477326 0.902547 O\n0.211094 0.022674 0.402547 O\n0.459898 0.328325 0.038445 O\n0.540102 0.171675 0.538445 O\n0.540102 0.671675 0.961555 O\n0.459898 0.828325 0.461555 O\n0.476817 0.431271 0.311519 O\n0.523183 0.068729 0.811519 O\n0.523183 0.568729 0.688481 O\n0.476817 0.931271 0.188481 O\n",
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"elements": [
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"density": 2.065476325376247,
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"formula_full": "Na4 Co4 P4 H40 C4 O40",
"formula_reduced": "NaCoPH10CO10",
"formula_anonymous": "ABCDE10F10",
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"updated_at": "2021-11-28T01:38:39.837000Z",
"spacegroup": 14
},
{
"id": "mp-12646",
"created_at": "2022-09-04T14:40:07.582189Z",
"structure_string": "Eu2 Nb2 O8\n1.0\n5.652014 3.647957 0.000000\n-5.652014 3.647957 0.000000\n0.000000 3.443527 3.916527\nEu Nb O\n2 2 8\ndirect\n0.127888 0.872112 0.750000 Eu\n0.872112 0.127888 0.250000 Eu\n0.606787 0.393213 0.750000 Nb\n0.393213 0.606787 0.250000 Nb\n0.134850 0.553860 0.162833 O\n0.446140 0.865150 0.337167 O\n0.865150 0.446140 0.837167 O\n0.553860 0.134850 0.662833 O\n0.710448 0.772509 0.806175 O\n0.227491 0.289552 0.693825 O\n0.289552 0.227491 0.193825 O\n0.772509 0.710448 0.306175 O\n",
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],
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"formula_full": "Eu2 Nb2 O8",
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},
{
"id": "mp-776068",
"created_at": "2022-09-04T14:46:19.561764Z",
"structure_string": "Li3 V3 Cr3 O12\n1.0\n5.267088 0.000000 0.000000\n-0.183544 5.913628 0.000000\n-2.505753 -1.276460 7.265557\nLi V Cr O\n3 3 3 12\ndirect\n0.000775 0.997040 0.001667 Li\n0.670551 0.662862 0.667570 Li\n0.330895 0.339952 0.329168 Li\n0.517332 0.257936 0.991065 V\n0.191682 0.919575 0.661257 V\n0.808668 0.076552 0.340251 V\n0.485246 0.752863 0.005910 Cr\n0.148744 0.416768 0.671995 Cr\n0.846157 0.581509 0.327577 Cr\n0.561211 0.958962 0.838217 O\n0.542661 0.467216 0.842896 O\n0.230611 0.627501 0.512645 O\n0.201784 0.133766 0.507669 O\n0.864321 0.814228 0.169128 O\n0.893405 0.278452 0.179250 O\n0.100419 0.719157 0.816336 O\n0.136286 0.184246 0.834054 O\n0.792543 0.867285 0.492288 O\n0.771689 0.373007 0.491429 O\n0.464247 0.518853 0.162167 O\n0.440776 0.052271 0.157465 O\n",
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"formula_full": "Li3 V3 Cr3 O12",
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{
"id": "mp-26757",
"created_at": "2022-09-04T14:42:54.243529Z",
"structure_string": "Li4 Co4 P4 O16\n1.0\n5.321057 0.000000 0.000000\n0.000000 8.093555 0.000000\n0.000000 2.153568 8.189424\nLi Co P O\n4 4 4 16\ndirect\n0.849023 0.031730 0.072898 Li\n0.666566 0.500511 0.779742 Li\n0.150977 0.031730 0.572898 Li\n0.333434 0.500511 0.279742 Li\n0.336335 0.133141 0.206367 Co\n0.663665 0.133141 0.706367 Co\n0.824922 0.635082 0.384801 Co\n0.175078 0.635082 0.884801 Co\n0.829780 0.258302 0.330809 P\n0.671618 0.753622 0.009212 P\n0.328382 0.753622 0.509212 P\n0.170220 0.258302 0.830809 P\n0.799414 0.782842 0.165267 O\n0.200586 0.782842 0.665267 O\n0.599347 0.684141 0.551747 O\n0.685571 0.420391 0.343996 O\n0.298665 0.182383 0.699339 O\n0.701335 0.182383 0.199339 O\n0.685132 0.933913 0.891259 O\n0.314868 0.933913 0.391259 O\n0.400653 0.684141 0.051747 O\n0.314429 0.420391 0.843996 O\n0.814813 0.621565 0.937171 O\n0.177672 0.123459 0.999245 O\n0.889782 0.300120 0.781947 O\n0.185187 0.621565 0.437171 O\n0.822328 0.123459 0.499245 O\n0.110218 0.300120 0.281947 O\n",
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"formula_full": "Li4 Co4 P4 O16",
"formula_reduced": "LiCoPO4",
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{
"id": "mp-1294897",
"created_at": "2022-09-04T14:41:47.518359Z",
"structure_string": "K4 Mn4 I4 O24\n1.0\n-2.548944 -4.447238 0.003560\n-2.554901 4.450673 0.007560\n0.053234 -0.010949 -24.444095\nK Mn I O\n4 4 4 24\ndirect\n0.666723 0.333243 0.124995 K\n0.667200 0.334697 0.375149 K\n0.665366 0.332124 0.624939 K\n0.666941 0.333259 0.874899 K\n0.324187 0.671301 0.500046 Mn\n0.333524 0.666174 0.749987 Mn\n0.333033 0.666894 0.999964 Mn\n0.332899 0.666925 0.250012 Mn\n0.000400 0.999845 0.999984 I\n0.000444 0.999859 0.250017 I\n0.999552 0.000174 0.500013 I\n0.000528 0.999750 0.749987 I\n0.044571 0.327299 0.205836 O\n0.072273 0.342210 0.455158 O\n0.046435 0.328934 0.705933 O\n0.044415 0.327332 0.955794 O\n0.283487 0.954232 0.205895 O\n0.278998 0.945201 0.455388 O\n0.282166 0.950778 0.705899 O\n0.283430 0.954287 0.955865 O\n0.285090 0.330792 0.044115 O\n0.285318 0.330813 0.294159 O\n0.268754 0.325734 0.545625 O\n0.284319 0.334433 0.794187 O\n0.669520 0.714853 0.205861 O\n0.672945 0.731118 0.454506 O\n0.665854 0.715857 0.705758 O\n0.669366 0.714796 0.955830 O\n0.672218 0.955616 0.044159 O\n0.672339 0.955795 0.294181 O\n0.659719 0.929564 0.544683 O\n0.670648 0.953072 0.794105 O\n0.045368 0.717071 0.044108 O\n0.045389 0.716928 0.294129 O\n0.057373 0.720697 0.544757 O\n0.049207 0.718346 0.794078 O\n",
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],
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"density": 3.79275830471111,
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"volume": 555.04367521989,
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"formula_full": "K4 Mn4 I4 O24",
"formula_reduced": "KMnIO6",
"formula_anonymous": "ABCD6",
"energy": -218.2794296,
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"spacegroup": 5
},
{
"id": "mp-753549",
"created_at": "2022-09-04T14:48:13.115493Z",
"structure_string": "Li1 V6 O7 F5\n1.0\n5.813664 0.000000 0.000000\n-0.931417 6.019756 0.000000\n-1.108383 -1.328234 5.889330\nLi V O F\n1 6 7 5\ndirect\n0.993631 0.981238 0.000666 Li\n0.301001 0.608052 0.134478 V\n0.850375 0.661587 0.380965 V\n0.595486 0.158067 0.340690 V\n0.403563 0.851950 0.663523 V\n0.152441 0.348001 0.603757 V\n0.685940 0.409349 0.870413 V\n0.932358 0.657378 0.077065 O\n0.566031 0.413588 0.178087 O\n0.579479 0.829487 0.411564 O\n0.187901 0.575380 0.421480 O\n0.821516 0.427403 0.588305 O\n0.413407 0.177563 0.586898 O\n0.420291 0.593975 0.829536 O\n0.323204 0.949121 0.094106 F\n0.934193 0.107843 0.318924 F\n0.057871 0.888773 0.673624 F\n0.682424 0.063404 0.900125 F\n0.098888 0.297845 0.925794 F\n",
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"formula_full": "Li1 V6 O7 F5",
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{
"id": "mp-753461",
"created_at": "2022-09-04T14:46:09.401126Z",
"structure_string": "Li4 Mn3 O1 F11\n1.0\n5.770844 0.000000 0.000000\n-1.052412 5.960238 0.000000\n-1.001741 -1.665803 6.147285\nLi Mn O F\n4 3 1 11\ndirect\n0.151969 0.589531 0.330502 Li\n0.383205 0.663431 0.857871 Li\n0.609342 0.331066 0.137173 Li\n0.858651 0.406530 0.679147 Li\n0.724372 0.862288 0.376531 Mn\n0.001956 0.001607 0.011115 Mn\n0.293752 0.135198 0.582460 Mn\n0.051004 0.969614 0.333495 O\n0.046485 0.695700 0.903610 F\n0.404393 0.853321 0.591190 F\n0.681216 0.878994 0.010861 F\n0.181045 0.415115 0.580936 F\n0.434226 0.618503 0.197524 F\n0.562021 0.360311 0.793124 F\n0.825687 0.594625 0.426231 F\n0.314907 0.110866 0.990839 F\n0.602066 0.145750 0.385903 F\n0.952363 0.307472 0.110488 F\n0.921338 0.060077 0.700996 F\n",
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