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{
"id": "mp-1100734",
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"structure_string": "Li9 Mn2 Co5 O16\n1.0\n2.894016 0.000000 0.000000\n0.000000 10.123253 0.000000\n0.000000 3.469560 9.637735\nLi Mn Co O\n9 2 5 16\ndirect\n0.500000 0.251221 0.750161 Li\n0.500000 0.258585 0.243607 Li\n0.000000 0.003747 0.747231 Li\n0.000000 0.996253 0.252769 Li\n0.500000 0.741415 0.756393 Li\n0.500000 0.748779 0.249839 Li\n0.000000 0.505632 0.756127 Li\n0.000000 0.494368 0.243873 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.253496 0.002775 Mn\n0.000000 0.746504 0.997225 Mn\n0.000000 0.250086 0.502348 Co\n0.500000 0.000000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.749914 0.497652 Co\n0.500000 0.500000 0.500000 Co\n0.500000 0.357553 0.888800 O\n0.500000 0.368188 0.384083 O\n0.000000 0.116263 0.894485 O\n0.000000 0.112874 0.391685 O\n0.500000 0.873799 0.892667 O\n0.500000 0.865516 0.380120 O\n0.000000 0.641652 0.881772 O\n0.000000 0.617717 0.383927 O\n0.500000 0.134484 0.619880 O\n0.500000 0.126201 0.107333 O\n0.000000 0.887126 0.608315 O\n0.000000 0.883737 0.105515 O\n0.500000 0.631812 0.615917 O\n0.500000 0.642447 0.111200 O\n0.000000 0.382283 0.616073 O\n0.000000 0.358348 0.118228 O\n",
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"formula_full": "Li9 Mn2 Co5 O16",
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{
"id": "mp-850209",
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"structure_string": "Li5 Mn1 Ni4 O10\n1.0\n-2.907747 0.000000 0.000000\n1.423240 6.361585 0.000000\n-0.256314 -1.908715 -9.540200\nLi Mn Ni O\n5 1 4 10\ndirect\n0.701494 0.406931 0.602727 Li\n0.500000 0.000000 0.000000 Li\n0.298506 0.593069 0.397273 Li\n0.101582 0.205094 0.806649 Li\n0.898418 0.794906 0.193351 Li\n0.000000 0.000000 0.500000 Mn\n0.392697 0.795048 0.702824 Ni\n0.607303 0.204952 0.297176 Ni\n0.787412 0.596336 0.900469 Ni\n0.212588 0.403664 0.099531 Ni\n0.532729 0.089145 0.633655 O\n0.359763 0.679157 0.043452 O\n0.640237 0.320843 0.956548 O\n0.786735 0.495892 0.239363 O\n0.467271 0.910855 0.366345 O\n0.863382 0.722240 0.552434 O\n0.925381 0.876227 0.847801 O\n0.136618 0.277760 0.447566 O\n0.213265 0.504108 0.760637 O\n0.074619 0.123773 0.152199 O\n",
"nsites": 20,
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"volume": 176.4734719043521,
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"formula_full": "Li5 Mn1 Ni4 O10",
"formula_reduced": "Li5Mn(Ni2O5)2",
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"energy": -124.47120876,
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"updated_at": "2021-11-28T01:37:39.997000Z",
"spacegroup": 2
},
{
"id": "mp-1279456",
"created_at": "2022-09-04T14:40:22.250361Z",
"structure_string": "Li4 Co2 Ni2 O8\n1.0\n-5.125864 0.186236 0.003985\n2.075941 4.690411 0.003983\n0.004276 -0.006826 -5.779200\nLi Co Ni O\n4 2 2 8\ndirect\n0.999728 0.500266 0.750001 Li\n0.500007 0.999996 0.250001 Li\n0.500524 0.500138 0.998140 Li\n0.999856 0.999484 0.501861 Li\n0.499681 0.000311 0.749999 Co\n0.999977 0.500021 0.250000 Co\n0.999715 0.999889 0.996841 Ni\n0.500108 0.500287 0.503159 Ni\n0.222418 0.277579 0.249998 O\n0.736436 0.763566 0.750000 O\n0.777348 0.722656 0.249999 O\n0.264749 0.235258 0.750000 O\n0.234446 0.775345 0.998989 O\n0.724658 0.265557 0.501013 O\n0.763309 0.222958 0.997228 O\n0.277042 0.736688 0.502773 O\n",
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"elements": [
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],
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"volume": 141.17994198279317,
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"formula_full": "Li4 Co2 Ni2 O8",
"formula_reduced": "Li2CoNiO4",
"formula_anonymous": "ABC2D4",
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"updated_at": "2021-11-28T01:34:48.836000Z",
"spacegroup": 21
},
{
"id": "mp-1175530",
"created_at": "2022-09-04T14:43:53.187276Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n2.939359 0.000000 0.000000\n-0.359792 5.931293 0.000000\n-0.265469 -0.207862 16.195750\nLi Mn Co O\n9 2 5 16\ndirect\n0.997167 0.245212 0.882061 Li\n0.500000 0.500000 0.000000 Li\n0.002833 0.754788 0.117939 Li\n0.501505 0.999397 0.748817 Li\n0.999348 0.750275 0.625200 Li\n0.500000 0.500000 0.500000 Li\n0.000652 0.249725 0.374800 Li\n0.498495 0.000603 0.251183 Li\n0.500000 0.000000 0.000000 Li\n0.996441 0.755394 0.879177 Mn\n0.003559 0.244606 0.120823 Mn\n0.508016 0.497800 0.251061 Co\n0.000200 0.749929 0.375107 Co\n0.500000 0.000000 0.500000 Co\n0.999800 0.250071 0.624893 Co\n0.491984 0.502200 0.748939 Co\n0.476610 0.525834 0.869240 O\n0.004580 0.746215 0.991212 O\n0.481349 0.029870 0.126050 O\n0.027259 0.263016 0.744648 O\n0.527734 0.011759 0.618982 O\n0.027022 0.761647 0.494215 O\n0.525913 0.513028 0.369878 O\n0.032654 0.264773 0.245484 O\n0.518651 0.970130 0.873950 O\n0.995420 0.253785 0.008788 O\n0.523390 0.474166 0.130760 O\n0.967346 0.735227 0.754516 O\n0.474087 0.486972 0.630122 O\n0.972978 0.238353 0.505785 O\n0.472266 0.988241 0.381018 O\n0.972741 0.736984 0.255352 O\n",
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"elements": [
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],
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"volume": 282.35993592351934,
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"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -208.84011944,
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{
"id": "mp-1175568",
"created_at": "2022-09-04T14:48:24.929849Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.782556 0.000000 0.000000\n0.056694 5.859391 0.000000\n2.857584 0.111099 8.334019\nLi Mn Co O\n9 2 5 16\ndirect\n0.622591 0.250810 0.241237 Li\n0.375653 0.749700 0.760550 Li\n0.249792 0.000509 0.495959 Li\n0.000851 0.499582 0.002373 Li\n0.866438 0.749684 0.755656 Li\n0.497102 0.498988 0.998263 Li\n0.134169 0.249516 0.244260 Li\n0.751738 0.003094 0.501183 Li\n0.496331 0.000060 0.003159 Li\n0.002263 0.998005 0.001233 Mn\n0.623294 0.753729 0.245368 Mn\n0.754545 0.499448 0.500353 Co\n0.251429 0.496383 0.500997 Co\n0.375627 0.245639 0.758833 Co\n0.128342 0.751859 0.246590 Co\n0.864194 0.245457 0.758632 Co\n0.767900 0.235201 0.995550 O\n0.514400 0.741580 0.481977 O\n0.375615 0.972961 0.251296 O\n0.127055 0.477673 0.742614 O\n0.016009 0.732884 0.483109 O\n0.625156 0.495025 0.745592 O\n0.235118 0.234308 0.996597 O\n0.878877 0.979177 0.238711 O\n0.493641 0.270164 0.500029 O\n0.229227 0.764661 0.015618 O\n0.115125 0.997649 0.770178 O\n0.872617 0.527902 0.254241 O\n0.754950 0.764369 0.016015 O\n0.378560 0.528217 0.247779 O\n0.994307 0.263092 0.502180 O\n0.627087 0.022676 0.743867 O\n",
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"elements": [
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],
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"formula_full": "Li9 Mn2 Co5 O16",
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"energy": -209.22135228,
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{
"id": "mp-1174233",
"created_at": "2022-09-04T14:40:08.989233Z",
"structure_string": "Li8 Co6 O14\n1.0\n5.686208 0.415736 1.376153\n2.993960 6.879354 -1.873217\n0.051929 -0.067381 6.564514\nLi Co O\n8 6 14\ndirect\n0.357143 0.714286 0.142857 Li\n0.208665 0.434133 0.280995 Li\n0.644880 0.282457 0.852354 Li\n0.505621 0.994438 0.004719 Li\n0.932387 0.847475 0.561512 Li\n0.781898 0.581097 0.724203 Li\n0.069406 0.146114 0.433360 Li\n0.857143 0.714286 0.142857 Li\n0.001742 0.996012 0.005089 Co\n0.712544 0.432559 0.280625 Co\n0.568206 0.141631 0.427113 Co\n0.442300 0.848811 0.561588 Co\n0.271985 0.579761 0.724127 Co\n0.146080 0.286940 0.858601 Co\n0.933361 0.954117 0.290729 O\n0.800135 0.646050 0.438328 O\n0.245475 0.479521 0.978473 O\n0.102638 0.219676 0.123710 O\n0.513654 0.085542 0.702911 O\n0.385229 0.782758 0.859334 O\n0.657629 0.351635 0.552831 O\n0.780925 0.474454 0.994985 O\n0.611647 0.208896 0.162005 O\n0.056657 0.076937 0.732883 O\n0.914151 0.782521 0.847386 O\n0.329057 0.645813 0.426380 O\n0.200632 0.343029 0.582803 O\n0.468810 0.949051 0.307242 O\n",
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],
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"formula_full": "Li8 Co6 O14",
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{
"id": "mp-1366652",
"created_at": "2022-09-04T14:42:20.376679Z",
"structure_string": "Li8 Co6 O14\n1.0\n5.865117 0.000000 0.000000\n-1.585824 6.370655 0.000000\n-1.328552 -3.657561 6.612905\nLi Co O\n8 6 14\ndirect\n0.000000 0.000000 0.500000 Li\n0.571370 0.861862 0.219848 Li\n0.855909 0.290503 0.068172 Li\n0.428630 0.138138 0.780152 Li\n0.708434 0.581345 0.633190 Li\n0.291566 0.418655 0.366810 Li\n0.144091 0.709497 0.931828 Li\n0.500000 0.000000 0.500000 Li\n0.926326 0.137768 0.781726 Co\n0.073674 0.862232 0.218274 Co\n0.638409 0.715744 0.927345 Co\n0.219682 0.581269 0.634525 Co\n0.780318 0.418731 0.365475 Co\n0.361591 0.284256 0.072655 Co\n0.816050 0.852128 0.739832 O\n0.374757 0.704529 0.431765 O\n0.653567 0.164384 0.265235 O\n0.250886 0.019147 0.005391 O\n0.527767 0.439946 0.871257 O\n0.096558 0.283523 0.568472 O\n0.937835 0.590026 0.137350 O\n0.183950 0.147872 0.260168 O\n0.749114 0.980853 0.994609 O\n0.062165 0.409974 0.862650 O\n0.625243 0.295471 0.568235 O\n0.903442 0.716477 0.431528 O\n0.472233 0.560054 0.128743 O\n0.346433 0.835616 0.734765 O\n",
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"elements": [
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"density": 4.254820432887892,
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"formula_full": "Li8 Co6 O14",
"formula_reduced": "Li4Co3O7",
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{
"id": "mp-1175407",
"created_at": "2022-09-04T14:40:28.708130Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.897111 0.000000 0.000000\n1.461960 6.273421 0.000000\n1.923304 0.106376 7.633196\nLi Mn Co O\n9 2 5 16\ndirect\n0.942075 0.876569 0.371090 Li\n0.676488 0.366492 0.876864 Li\n0.430823 0.875030 0.364785 Li\n0.802202 0.632240 0.123409 Li\n0.569177 0.124970 0.635215 Li\n0.323512 0.633508 0.123136 Li\n0.197798 0.367760 0.876591 Li\n0.057925 0.123431 0.628910 Li\n0.500000 0.000000 0.000000 Li\n0.871295 0.753268 0.754884 Mn\n0.128705 0.246732 0.245116 Mn\n0.622051 0.251287 0.244281 Co\n0.377949 0.748713 0.755719 Co\n0.247894 0.500523 0.497959 Co\n0.000000 0.000000 0.000000 Co\n0.752106 0.499477 0.502041 Co\n0.151735 0.792540 0.566898 O\n0.919325 0.295129 0.081119 O\n0.666842 0.794221 0.583362 O\n0.013387 0.548083 0.318494 O\n0.784631 0.045635 0.808493 O\n0.520420 0.543652 0.320145 O\n0.386774 0.314980 0.073004 O\n0.267631 0.036578 0.817206 O\n0.732369 0.963422 0.182794 O\n0.479580 0.456348 0.679855 O\n0.215369 0.954365 0.191507 O\n0.613226 0.685020 0.926996 O\n0.333158 0.205779 0.416638 O\n0.080675 0.704871 0.918881 O\n0.986613 0.451917 0.681506 O\n0.848265 0.207460 0.433102 O\n",
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],
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"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
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},
{
"id": "mp-762507",
"created_at": "2022-09-04T14:48:05.819617Z",
"structure_string": "Li4 Cr2 Ni2 O8\n1.0\n-2.914502 2.924179 4.141943\n2.914502 -2.924179 4.141943\n2.914502 2.924179 -4.141943\nLi Cr Ni O\n4 2 2 8\ndirect\n0.000000 0.500000 0.000000 Li\n0.000000 0.500000 0.500000 Li\n0.000000 0.000000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.500000 0.000000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Ni\n0.500000 0.000000 0.000000 Ni\n0.746635 0.762471 0.984164 O\n0.750863 0.232014 0.981151 O\n0.278306 0.762471 0.515836 O\n0.750863 0.769712 0.518849 O\n0.249137 0.230288 0.481151 O\n0.721694 0.237529 0.484164 O\n0.249137 0.767986 0.018849 O\n0.253365 0.237529 0.015836 O\n",
"nsites": 16,
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"elements": [
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],
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"density": 4.435240767376399,
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"volume": 141.19926007481538,
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"formula_full": "Li4 Cr2 Ni2 O8",
"formula_reduced": "Li2CrNiO4",
"formula_anonymous": "ABC2D4",
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{
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{
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"formula_full": "Na4 Si2 H24 O18",
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{
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"created_at": "2022-09-04T14:42:54.816794Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.905345 0.000000 0.000000\n0.339231 5.901850 0.000000\n0.304517 2.850839 8.103121\nLi Mn Co O\n9 2 5 16\ndirect\n0.754414 0.863649 0.757937 Li\n0.000355 0.749557 0.500796 Li\n0.755628 0.378744 0.755226 Li\n0.998687 0.249203 0.501471 Li\n0.244299 0.136864 0.243056 Li\n0.246425 0.620248 0.244078 Li\n0.501019 0.500340 0.999798 Li\n0.499802 0.999699 0.999906 Li\n0.999548 0.499769 0.999781 Li\n0.999614 0.000243 0.999233 Mn\n0.500741 0.750307 0.500901 Mn\n0.241865 0.863924 0.752707 Co\n0.755486 0.625013 0.249692 Co\n0.247366 0.377487 0.751771 Co\n0.499139 0.251711 0.498754 Co\n0.757622 0.136017 0.245499 Co\n0.002911 0.099906 0.759881 O\n0.259953 0.981985 0.511468 O\n0.019385 0.608467 0.748677 O\n0.282108 0.510329 0.507589 O\n0.508956 0.353722 0.263705 O\n0.515415 0.855643 0.264544 O\n0.771975 0.764445 0.014653 O\n0.755685 0.231332 0.011846 O\n0.494921 0.644838 0.740395 O\n0.738581 0.515921 0.490857 O\n0.481441 0.148222 0.731156 O\n0.719219 0.993689 0.490027 O\n0.995925 0.902041 0.236486 O\n0.980116 0.384630 0.256041 O\n0.227864 0.232912 0.985816 O\n0.243537 0.769142 0.986255 O\n",
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"volume": 282.41370367369666,
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"formula_full": "Li9 Mn2 Co5 O16",
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}
]
}