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{
"id": "mp-1100585",
"created_at": "2022-09-04T14:42:16.404382Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n2.900827 0.000000 0.000000\n0.000000 9.825353 0.000000\n0.000000 1.664098 10.275288\nLi Mn Co O\n9 2 5 16\ndirect\n0.500000 0.002091 0.269649 Li\n0.500000 0.006856 0.725576 Li\n0.000000 0.748461 0.380621 Li\n0.000000 0.746698 0.863453 Li\n0.500000 0.498052 0.504682 Li\n0.500000 0.495554 0.998200 Li\n0.000000 0.249796 0.133992 Li\n0.000000 0.253535 0.623648 Li\n0.000000 0.000110 0.499244 Li\n0.000000 0.001774 0.001586 Mn\n0.500000 0.743432 0.130347 Mn\n0.500000 0.767956 0.607635 Co\n0.000000 0.482877 0.258066 Co\n0.000000 0.507378 0.747342 Co\n0.500000 0.230013 0.391809 Co\n0.500000 0.253997 0.868891 Co\n0.500000 0.110692 0.058256 O\n0.500000 0.137095 0.555513 O\n0.000000 0.855130 0.184710 O\n0.000000 0.864534 0.684881 O\n0.500000 0.624088 0.293368 O\n0.500000 0.615231 0.811732 O\n0.000000 0.363860 0.923513 O\n0.000000 0.379535 0.424561 O\n0.500000 0.866555 0.445946 O\n0.500000 0.876042 0.959150 O\n0.000000 0.635927 0.572588 O\n0.000000 0.637530 0.070642 O\n0.500000 0.389868 0.690410 O\n0.500000 0.383383 0.184175 O\n0.000000 0.133397 0.315591 O\n0.000000 0.138555 0.820223 O\n",
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{
"id": "mp-757368",
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"structure_string": "Li4 Co4 P4 O16\n1.0\n5.438740 0.400167 0.002716\n1.825018 10.469075 0.000679\n0.004998 0.000061 6.153182\nLi Co P O\n4 4 4 16\ndirect\n0.269588 0.297901 0.532653 Li\n0.228791 0.200656 0.031883 Li\n0.770996 0.799307 0.968231 Li\n0.730014 0.701810 0.467684 Li\n0.364766 0.598623 0.167926 Co\n0.634968 0.401431 0.831772 Co\n0.135821 0.901549 0.667967 Co\n0.863151 0.098574 0.332110 Co\n0.235048 0.640010 0.657099 P\n0.265556 0.860349 0.157331 P\n0.734829 0.139725 0.842779 P\n0.764861 0.359979 0.342869 P\n0.971557 0.739374 0.689793 O\n0.471015 0.238824 0.811078 O\n0.529248 0.761097 0.189055 O\n0.028485 0.260810 0.309532 O\n0.073114 0.774824 0.144543 O\n0.572754 0.274111 0.356648 O\n0.427482 0.725663 0.643955 O\n0.927011 0.225406 0.854908 O\n0.227921 0.556659 0.452871 O\n0.272252 0.943661 0.952853 O\n0.729071 0.056308 0.047292 O\n0.771755 0.443566 0.546823 O\n0.302618 0.545291 0.856595 O\n0.197735 0.955173 0.356754 O\n0.802839 0.044731 0.643668 O\n0.696753 0.454590 0.143328 O\n",
"nsites": 28,
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"elements": [
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],
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"volume": 345.8595436942259,
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"formula_full": "Li4 Co4 P4 O16",
"formula_reduced": "LiCoPO4",
"formula_anonymous": "ABCD4",
"energy": -202.08245679,
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"updated_at": "2021-11-28T01:36:11.894000Z",
"spacegroup": 14
},
{
"id": "mp-776732",
"created_at": "2022-09-04T14:44:23.759376Z",
"structure_string": "Li2 Fe3 F8\n1.0\n5.416968 -3.084186 0.000000\n5.416968 3.084186 0.000000\n3.660967 0.000000 5.045103\nLi Fe F\n2 3 8\ndirect\n0.132985 0.132985 0.132985 Li\n0.867015 0.867015 0.867015 Li\n0.500000 0.000000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.570001 0.098408 0.098408 F\n0.098408 0.098408 0.570001 F\n0.098408 0.570001 0.098408 F\n0.596046 0.596046 0.596046 F\n0.403954 0.403954 0.403954 F\n0.901592 0.429999 0.901592 F\n0.901592 0.901592 0.429999 F\n0.429999 0.901592 0.901592 F\n",
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"elements": [
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"density": 3.284152632610489,
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"formula_full": "Li2 Fe3 F8",
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"updated_at": "2021-11-28T01:36:33.898000Z",
"spacegroup": 166
},
{
"id": "mp-772095",
"created_at": "2022-09-04T14:41:29.549896Z",
"structure_string": "Li4 Fe2 Ni6 O16\n1.0\n2.842724 -4.923742 0.000000\n2.842724 4.923742 0.000000\n0.000000 0.000000 9.095883\nLi Fe Ni O\n4 2 6 16\ndirect\n0.333333 0.666667 0.894437 Li\n0.000000 0.000000 0.995957 Li\n0.000000 0.000000 0.495957 Li\n0.666667 0.333333 0.394437 Li\n0.333333 0.666667 0.491140 Fe\n0.666667 0.333333 0.991140 Fe\n0.170238 0.829762 0.213470 Ni\n0.170238 0.340477 0.213470 Ni\n0.659523 0.829762 0.213470 Ni\n0.340477 0.170238 0.713470 Ni\n0.829762 0.659523 0.713470 Ni\n0.829762 0.170238 0.713470 Ni\n0.167920 0.832080 0.591987 O\n0.042447 0.521223 0.346674 O\n0.333333 0.666667 0.111650 O\n0.000000 0.000000 0.304299 O\n0.000000 0.000000 0.804299 O\n0.167920 0.335839 0.591987 O\n0.478777 0.957553 0.346674 O\n0.478777 0.521223 0.346674 O\n0.335839 0.167920 0.091987 O\n0.664161 0.832080 0.591987 O\n0.521223 0.478777 0.846674 O\n0.521223 0.042447 0.846674 O\n0.666667 0.333333 0.611650 O\n0.832080 0.664161 0.091987 O\n0.957553 0.478777 0.846674 O\n0.832080 0.167920 0.091987 O\n",
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"formula_full": "Li4 Fe2 Ni6 O16",
"formula_reduced": "Li2FeNi3O8",
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"energy": -173.75089186,
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},
{
"id": "mp-757869",
"created_at": "2022-09-04T14:41:25.208164Z",
"structure_string": "Li4 Co4 P4 O16\n1.0\n9.629345 0.000000 0.000000\n0.000000 4.785076 0.000000\n0.000000 0.340040 6.984418\nLi Co P O\n4 4 4 16\ndirect\n0.315977 0.778680 0.263066 Li\n0.725801 0.279527 0.276644 Li\n0.225801 0.720473 0.723356 Li\n0.815977 0.221320 0.736934 Li\n0.018565 0.759340 0.053072 Co\n0.071740 0.281837 0.428819 Co\n0.571740 0.718163 0.571181 Co\n0.518565 0.240660 0.946928 Co\n0.200240 0.201638 0.012332 P\n0.906007 0.718431 0.491442 P\n0.406007 0.281569 0.508558 P\n0.700240 0.798362 0.987668 P\n0.349310 0.100420 0.065717 O\n0.188399 0.526258 0.002990 O\n0.643866 0.930502 0.167048 O\n0.110216 0.074611 0.186702 O\n0.920262 0.586034 0.289609 O\n0.274980 0.414752 0.413508 O\n0.893829 0.043181 0.481924 O\n0.539726 0.383426 0.401304 O\n0.039726 0.616574 0.598696 O\n0.393829 0.956819 0.518076 O\n0.774980 0.585248 0.586492 O\n0.420262 0.413966 0.710391 O\n0.610216 0.925389 0.813298 O\n0.143866 0.069498 0.832952 O\n0.688399 0.473742 0.997010 O\n0.849310 0.899580 0.934283 O\n",
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"formula_full": "Li4 Co4 P4 O16",
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{
"id": "mp-1211491",
"created_at": "2022-09-04T14:40:17.573459Z",
"structure_string": "K2 Eu2 C4 O12\n1.0\n4.939933 4.425731 0.000000\n-4.939933 4.425731 0.000000\n0.000000 2.618197 6.711204\nK Eu C O\n2 2 4 12\ndirect\n0.620121 0.379879 0.750000 K\n0.379879 0.620121 0.250000 K\n0.098432 0.901568 0.750000 Eu\n0.901568 0.098432 0.250000 Eu\n0.646667 0.890162 0.757370 C\n0.353333 0.109838 0.242630 C\n0.109838 0.353333 0.742630 C\n0.890162 0.646667 0.257370 C\n0.449784 0.895806 0.778957 O\n0.550216 0.104194 0.221043 O\n0.104194 0.550216 0.721043 O\n0.895806 0.449784 0.278957 O\n0.710036 0.751045 0.880474 O\n0.289964 0.248955 0.119526 O\n0.248955 0.289964 0.619526 O\n0.751045 0.710036 0.380474 O\n0.791775 0.030194 0.612005 O\n0.208225 0.969806 0.387995 O\n0.969806 0.208225 0.887995 O\n0.030194 0.791775 0.112005 O\n",
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{
"id": "mp-1175699",
"created_at": "2022-09-04T14:46:25.000629Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.155536 0.000000 0.000000\n1.632939 5.660997 0.000000\n2.508079 2.271342 9.937687\nLi Mn Co O\n9 2 5 16\ndirect\n0.506413 0.555175 0.133947 Li\n0.507496 0.054911 0.132245 Li\n0.486847 0.177573 0.380619 Li\n0.490062 0.693421 0.378050 Li\n0.513153 0.822427 0.619381 Li\n0.509938 0.306579 0.621950 Li\n0.493587 0.444825 0.866053 Li\n0.492504 0.945089 0.867755 Li\n0.000000 0.000000 0.500000 Li\n0.000104 0.749976 0.000097 Mn\n0.999896 0.250024 0.999903 Mn\n0.996645 0.364178 0.263519 Co\n0.988277 0.873549 0.266634 Co\n0.000000 0.500000 0.500000 Co\n0.003355 0.635822 0.736481 Co\n0.011723 0.126451 0.733366 Co\n0.214223 0.916656 0.058885 O\n0.215549 0.419717 0.058839 O\n0.233740 0.533538 0.318966 O\n0.237130 0.042272 0.301310 O\n0.246333 0.150414 0.572471 O\n0.223037 0.638822 0.565542 O\n0.226062 0.780824 0.821977 O\n0.221780 0.284636 0.824060 O\n0.773938 0.219176 0.178023 O\n0.778220 0.715364 0.175940 O\n0.753667 0.849586 0.427529 O\n0.776963 0.361178 0.434458 O\n0.766260 0.466462 0.681034 O\n0.762870 0.957728 0.698690 O\n0.785777 0.083344 0.941115 O\n0.784451 0.580283 0.941161 O\n",
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{
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{
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{
"id": "mp-1286827",
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"structure_string": "Na4 V8 O16\n1.0\n5.153912 -0.006328 0.004953\n-0.007414 5.996927 0.012390\n0.011374 0.023724 11.481063\nNa V O\n4 8 16\ndirect\n0.029007 0.748227 0.250228 Na\n0.968932 0.247890 0.749808 Na\n0.350570 0.750728 0.750140 Na\n0.648012 0.252013 0.251130 Na\n0.007722 0.250094 0.491651 V\n0.991969 0.749926 0.508285 V\n0.501286 0.496373 0.001112 V\n0.497659 0.005419 0.999163 V\n0.002360 0.247119 0.008837 V\n0.997363 0.747001 0.990571 V\n0.499936 0.999891 0.499983 V\n0.499861 0.500083 0.500144 V\n0.334201 0.250354 0.093415 O\n0.321664 0.250699 0.407668 O\n0.678116 0.749392 0.592589 O\n0.678483 0.750838 0.910333 O\n0.309215 0.751068 0.082648 O\n0.312331 0.750505 0.416610 O\n0.687548 0.249341 0.583121 O\n0.679183 0.252012 0.913546 O\n0.157168 0.001681 0.592989 O\n0.157327 0.002036 0.904946 O\n0.157055 0.497431 0.593180 O\n0.151787 0.489573 0.907487 O\n0.842507 0.998092 0.406689 O\n0.842540 0.502823 0.406886 O\n0.849424 0.008386 0.092564 O\n0.846772 0.501003 0.094279 O\n",
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{
"id": "mp-1213999",
"created_at": "2022-09-04T14:42:11.069425Z",
"structure_string": "Ca4 Co4 Ge4 O16\n1.0\n5.058855 0.000000 0.000000\n0.000000 6.471010 0.000000\n0.000000 0.000000 11.393488\nCa Co Ge O\n4 4 4 16\ndirect\n0.011260 0.750000 0.725126 Ca\n0.988740 0.250000 0.274874 Ca\n0.511260 0.250000 0.774874 Ca\n0.488740 0.750000 0.225126 Ca\n0.500000 0.500000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.576130 0.750000 0.917723 Ge\n0.423870 0.250000 0.082277 Ge\n0.076130 0.250000 0.582277 Ge\n0.923870 0.750000 0.417723 Ge\n0.225947 0.750000 0.918734 O\n0.774053 0.250000 0.081266 O\n0.725947 0.250000 0.581266 O\n0.274053 0.750000 0.418734 O\n0.730883 0.532946 0.849230 O\n0.269117 0.467054 0.150770 O\n0.230883 0.467054 0.650770 O\n0.269117 0.032946 0.150770 O\n0.769117 0.532946 0.349230 O\n0.730883 0.967054 0.849230 O\n0.769117 0.967054 0.349230 O\n0.230883 0.032946 0.650770 O\n0.750735 0.750000 0.556191 O\n0.249265 0.250000 0.443809 O\n0.250735 0.250000 0.943809 O\n0.749265 0.750000 0.056191 O\n",
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{
"id": "mp-1175688",
"created_at": "2022-09-04T14:39:31.086173Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.905939 0.000000 0.000000\n-0.373416 5.904697 0.000000\n-0.109828 -0.121469 8.114396\nLi Mn Co O\n9 2 5 16\ndirect\n0.499848 0.001405 0.005077 Li\n0.246808 0.742122 0.755024 Li\n0.753905 0.740124 0.247803 Li\n0.497777 0.497857 0.003875 Li\n0.000332 0.500358 0.495798 Li\n0.753339 0.261070 0.245990 Li\n0.245516 0.258780 0.752140 Li\n0.004126 0.001131 0.495856 Li\n0.999820 0.502337 0.003595 Li\n0.002301 0.001541 0.001111 Mn\n0.752989 0.739494 0.750298 Mn\n0.499081 0.497520 0.499670 Co\n0.242534 0.262054 0.248144 Co\n0.753249 0.244814 0.750446 Co\n0.502011 0.995960 0.498195 Co\n0.246077 0.753044 0.249274 Co\n0.242679 0.239465 0.008648 O\n0.998718 0.976731 0.760295 O\n0.481072 0.993365 0.263301 O\n0.227476 0.776637 0.014272 O\n0.739402 0.732707 0.510782 O\n0.491637 0.486121 0.262064 O\n0.963870 0.505054 0.748301 O\n0.735883 0.235681 0.514727 O\n0.756972 0.762519 0.986500 O\n0.504328 0.511564 0.742057 O\n0.020695 0.516163 0.251096 O\n0.772671 0.229563 0.981709 O\n0.263579 0.262901 0.491807 O\n0.999853 0.025679 0.236524 O\n0.534918 0.984257 0.737519 O\n0.266535 0.761982 0.488100 O\n",
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]
}