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{
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"results": [
{
"id": "mp-770628",
"created_at": "2022-09-04T14:43:08.981281Z",
"structure_string": "Li8 Cr4 O12\n1.0\n5.015923 -0.000089 0.888671\n-2.508023 4.320311 -0.444157\n-0.119343 -0.000035 9.760638\nLi Cr O\n8 4 12\ndirect\n0.167682 0.842981 0.499013 Li\n0.999124 0.498840 0.999841 Li\n0.084244 0.167930 0.749780 Li\n0.499743 0.500696 0.500015 Li\n0.323931 0.157451 0.998955 Li\n0.676137 0.841981 0.001005 Li\n0.915383 0.832053 0.250361 Li\n0.833161 0.157489 0.500861 Li\n0.412892 0.825430 0.750220 Cr\n0.245734 0.491916 0.249820 Cr\n0.754307 0.508304 0.750017 Cr\n0.587023 0.174602 0.250036 Cr\n0.037573 0.806009 0.864484 O\n0.129160 0.531249 0.637457 O\n0.401974 0.530494 0.862567 O\n0.310303 0.831856 0.138721 O\n0.231637 0.194386 0.364486 O\n0.521725 0.832077 0.361249 O\n0.478471 0.168074 0.638849 O\n0.768605 0.806165 0.635854 O\n0.689874 0.168009 0.861278 O\n0.597875 0.468525 0.137104 O\n0.871247 0.469664 0.362405 O\n0.962194 0.193820 0.135624 O\n",
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{
"id": "mp-1175769",
"created_at": "2022-09-04T14:48:09.913207Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.914632 0.000000 0.000000\n-1.649649 -6.246423 0.000000\n-1.828622 0.303454 -7.650063\nLi Mn Co O\n9 2 5 16\ndirect\n0.124642 0.623611 0.872671 Li\n0.744320 0.259436 0.740449 Li\n0.996028 0.502689 0.497012 Li\n0.624466 0.131464 0.378155 Li\n0.871803 0.380618 0.130324 Li\n0.502408 0.997039 0.002448 Li\n0.379829 0.865773 0.616402 Li\n0.256802 0.740950 0.259958 Li\n0.500760 0.503388 0.498654 Li\n0.001239 0.996903 0.000558 Mn\n0.251922 0.253822 0.746167 Mn\n0.628794 0.623037 0.869015 Co\n0.869975 0.872307 0.622541 Co\n0.125487 0.126526 0.374595 Co\n0.743908 0.746608 0.257234 Co\n0.374188 0.376999 0.134884 Co\n0.928726 0.700426 0.053033 O\n0.552067 0.323153 0.920141 O\n0.812334 0.585966 0.686217 O\n0.400894 0.185129 0.573309 O\n0.677513 0.441858 0.296037 O\n0.304869 0.070926 0.173255 O\n0.164403 0.952343 0.817848 O\n0.050772 0.826262 0.425169 O\n0.319606 0.552245 0.704368 O\n0.946293 0.179140 0.576359 O\n0.184270 0.413126 0.311568 O\n0.841532 0.050028 0.177357 O\n0.084875 0.297088 0.934895 O\n0.696690 0.926119 0.829399 O\n0.586775 0.822611 0.440323 O\n0.451816 0.672408 0.079650 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
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],
"chemical_system": "Co-Li-Mn-O",
"density": 4.247800812842163,
"density_atomic": 0.11322070302789496,
"volume": 282.63382176770216,
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"formula_full": "Li9 Mn2 Co5 O16",
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"energy": -209.11732965,
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"spacegroup": 1
},
{
"id": "mp-1100737",
"created_at": "2022-09-04T14:47:09.146840Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n11.338449 0.000000 0.000000\n0.000000 5.184036 0.000000\n0.000000 1.956818 4.808464\nLi Mn Co O\n9 2 5 16\ndirect\n0.249971 0.500000 0.000000 Li\n0.374815 0.500000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.625185 0.500000 0.500000 Li\n0.750029 0.500000 0.000000 Li\n0.877771 0.500000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.122229 0.500000 0.500000 Li\n0.000000 0.000000 0.500000 Li\n0.125928 0.000000 0.000000 Mn\n0.874072 0.000000 0.000000 Mn\n0.250468 0.000000 0.500000 Co\n0.375400 0.000000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.624600 0.000000 0.000000 Co\n0.749532 0.000000 0.500000 Co\n0.250602 0.233168 0.772002 O\n0.375954 0.224802 0.272488 O\n0.500000 0.227207 0.777877 O\n0.624046 0.224802 0.272488 O\n0.749398 0.233168 0.772002 O\n0.867505 0.211640 0.243379 O\n0.000000 0.235661 0.780831 O\n0.132495 0.211640 0.243379 O\n0.250602 0.766832 0.227998 O\n0.375954 0.775198 0.727512 O\n0.500000 0.772793 0.222123 O\n0.624046 0.775198 0.727512 O\n0.749398 0.766832 0.227998 O\n0.867505 0.788360 0.756621 O\n0.000000 0.764339 0.219169 O\n0.132495 0.788360 0.756621 O\n",
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"elements": [
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"volume": 282.6363582856878,
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"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
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"spacegroup": 10
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{
"id": "mp-1280547",
"created_at": "2022-09-04T14:44:57.778861Z",
"structure_string": "Li8 Cr4 O12\n1.0\n-0.003116 1.507390 -2.501559\n9.333664 2.884573 0.087751\n2.387949 -5.306661 -5.009682\nLi Cr O\n8 4 12\ndirect\n0.333048 0.000063 0.333151 Li\n0.333647 0.499913 0.833519 Li\n0.333375 0.249946 0.083341 Li\n0.333317 0.750060 0.583335 Li\n0.990236 0.757840 0.256412 Li\n0.990591 0.257771 0.756418 Li\n0.676080 0.242281 0.410261 Li\n0.676414 0.742115 0.910288 Li\n0.980433 0.503139 0.513955 Cr\n0.686136 0.996927 0.652858 Cr\n0.980437 0.002966 0.013442 Cr\n0.686534 0.496933 0.153025 Cr\n0.513363 0.886060 0.107173 O\n0.513961 0.386233 0.607540 O\n0.153253 0.613852 0.059402 O\n0.152647 0.113857 0.559226 O\n0.172235 0.392148 0.287385 O\n0.171748 0.892092 0.787113 O\n0.494840 0.607904 0.379579 O\n0.494390 0.107875 0.879225 O\n0.817596 0.882952 0.473635 O\n0.818059 0.382878 0.973872 O\n0.848726 0.117043 0.192667 O\n0.848937 0.617151 0.693180 O\n",
"nsites": 24,
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"elements": [
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],
"chemical_system": "Cr-Li-O",
"density": 3.5682203616578567,
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"formula_full": "Li8 Cr4 O12",
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"formula_anonymous": "AB2C3",
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{
"id": "mp-1175943",
"created_at": "2022-09-04T14:43:38.749084Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.178933 0.000000 0.000000\n-0.631337 6.418450 0.000000\n-0.655875 -1.133495 8.502777\nLi Mn Co O\n9 2 5 16\ndirect\n0.740753 0.560126 0.932591 Li\n0.255477 0.939156 0.561628 Li\n0.748949 0.316783 0.193220 Li\n0.259228 0.444636 0.063611 Li\n0.743074 0.802230 0.682707 Li\n0.251332 0.190198 0.317096 Li\n0.257748 0.672842 0.806489 Li\n0.744675 0.071203 0.442294 Li\n0.500210 0.375364 0.625038 Li\n0.000429 0.997035 0.001678 Mn\n0.498884 0.127747 0.871070 Mn\n0.001132 0.747692 0.251615 Co\n0.002783 0.501403 0.498654 Co\n0.500767 0.874186 0.126912 Co\n0.989971 0.255917 0.744170 Co\n0.498976 0.625003 0.375892 Co\n0.111458 0.727388 0.041194 O\n0.625708 0.089729 0.669770 O\n0.110955 0.480730 0.286491 O\n0.615659 0.611377 0.167911 O\n0.146823 0.993558 0.794398 O\n0.652008 0.377203 0.415806 O\n0.604842 0.851371 0.913223 O\n0.099057 0.241047 0.537402 O\n0.378314 0.386646 0.846862 O\n0.893704 0.765185 0.461265 O\n0.396345 0.144084 0.089297 O\n0.854210 0.258883 0.952548 O\n0.343105 0.637053 0.569862 O\n0.888819 0.016716 0.213949 O\n0.897436 0.523541 0.709578 O\n0.387167 0.893967 0.335777 O\n",
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],
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"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
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{
"id": "mp-1174001",
"created_at": "2022-09-04T14:46:22.260551Z",
"structure_string": "Li5 Mn1 Co2 O8\n1.0\n5.907964 0.000000 0.000000\n0.000000 4.971368 0.000000\n0.000000 1.601337 4.811592\nLi Mn Co O\n5 1 2 8\ndirect\n0.000000 0.500000 0.500000 Li\n0.739996 0.000000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.260004 0.000000 0.500000 Li\n0.500000 0.000000 0.000000 Li\n0.000000 0.000000 0.000000 Mn\n0.740919 0.500000 0.000000 Co\n0.259081 0.500000 0.000000 Co\n0.000000 0.757667 0.771154 O\n0.768481 0.249841 0.779579 O\n0.500000 0.724519 0.760305 O\n0.231519 0.249841 0.779579 O\n0.000000 0.242333 0.228846 O\n0.768481 0.750159 0.220421 O\n0.500000 0.275481 0.239695 O\n0.231519 0.750159 0.220421 O\n",
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"formula_full": "Li5 Mn1 Co2 O8",
"formula_reduced": "Li5Mn(CoO4)2",
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"spacegroup": 10
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{
"id": "mp-1222507",
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"structure_string": "Li3 Co2 Ni1 O6\n1.0\n1.456180 -2.522177 0.000000\n1.456180 2.522177 0.000000\n0.000000 0.000000 14.429291\nLi Co Ni O\n3 2 1 6\ndirect\n0.333333 0.666667 0.163897 Li\n0.000000 0.000000 0.500000 Li\n0.666667 0.333333 0.836103 Li\n0.666667 0.333333 0.333802 Co\n0.333333 0.666667 0.666198 Co\n0.000000 0.000000 0.000000 Ni\n0.666667 0.333333 0.075927 O\n0.333333 0.666667 0.408833 O\n0.000000 0.000000 0.739243 O\n0.000000 0.000000 0.260757 O\n0.666667 0.333333 0.591167 O\n0.333333 0.666667 0.924073 O\n",
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"formula_full": "Li3 Co2 Ni1 O6",
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"spacegroup": 164
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{
"id": "mp-1175764",
"created_at": "2022-09-04T14:47:05.632794Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n4.975695 0.000000 0.000000\n-0.037495 5.879289 0.000000\n-1.818021 -2.862364 9.661989\nLi Mn Co O\n9 2 5 16\ndirect\n0.244940 0.875031 0.751843 Li\n0.246397 0.380531 0.246593 Li\n0.753120 0.618303 0.755538 Li\n0.752871 0.119279 0.248426 Li\n0.242794 0.377618 0.752822 Li\n0.244540 0.867989 0.247066 Li\n0.755733 0.134636 0.751909 Li\n0.758310 0.626130 0.246285 Li\n0.001031 0.503682 0.999732 Li\n0.999769 0.994043 0.999773 Mn\n0.500777 0.259901 0.000191 Mn\n0.000005 0.499966 0.500076 Co\n0.499839 0.748007 0.999821 Co\n0.504137 0.250503 0.502746 Co\n0.999688 0.999736 0.499826 Co\n0.495633 0.749515 0.497296 Co\n0.136722 0.178914 0.889252 O\n0.142832 0.680666 0.377337 O\n0.631297 0.947330 0.891063 O\n0.639899 0.439680 0.383964 O\n0.131852 0.711242 0.889035 O\n0.132424 0.182857 0.389288 O\n0.600763 0.444909 0.889239 O\n0.641521 0.944406 0.385703 O\n0.360041 0.559892 0.616601 O\n0.369968 0.052735 0.108655 O\n0.857803 0.318795 0.622582 O\n0.867377 0.820328 0.111378 O\n0.357635 0.055491 0.613701 O\n0.399045 0.552696 0.111005 O\n0.866851 0.817370 0.610604 O\n0.864385 0.287819 0.110651 O\n",
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"formula_full": "Li9 Mn2 Co5 O16",
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{
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"created_at": "2022-09-04T14:42:01.306649Z",
"structure_string": "Mg4 Al8 O16\n1.0\n2.814484 0.000000 0.000000\n0.000000 8.758906 0.000000\n0.000000 0.000000 10.032598\nMg Al O\n4 8 16\ndirect\n0.750000 0.745560 0.151818 Mg\n0.250000 0.254440 0.848182 Mg\n0.750000 0.245560 0.348182 Mg\n0.250000 0.754440 0.651818 Mg\n0.250000 0.441303 0.616670 Al\n0.750000 0.558697 0.383330 Al\n0.250000 0.941303 0.883330 Al\n0.750000 0.058697 0.116670 Al\n0.750000 0.086723 0.603523 Al\n0.250000 0.913277 0.396477 Al\n0.750000 0.586723 0.896477 Al\n0.250000 0.413277 0.103523 Al\n0.250000 0.411815 0.429665 O\n0.750000 0.588185 0.570335 O\n0.250000 0.911815 0.070335 O\n0.750000 0.088185 0.929665 O\n0.250000 0.536941 0.783601 O\n0.750000 0.463059 0.216399 O\n0.250000 0.036941 0.716399 O\n0.750000 0.963059 0.283601 O\n0.250000 0.119850 0.470691 O\n0.750000 0.880150 0.529309 O\n0.250000 0.619850 0.029309 O\n0.750000 0.380150 0.970691 O\n0.750000 0.299338 0.668365 O\n0.250000 0.700662 0.331635 O\n0.750000 0.799338 0.831635 O\n0.250000 0.200662 0.168365 O\n",
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"formula_full": "Mg4 Al8 O16",
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}