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{
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"results": [
{
"id": "jvasp-120610",
"created_at": "2022-09-04T14:38:47.743198Z",
"updated_at": "2022-09-04T14:38:47.743221Z",
"structure_string": "Li6 Mn2 Co2 O10\n1.0\n4.648586 0.000716 1.589415\n0.324983 4.707778 1.616331\n0.030236 0.004018 7.504356\nLi Mn Co O\n6 2 2 10\ndirect\n0.299855 0.509069 0.893226 Li\n0.489009 0.502548 0.498492 Li\n0.916645 0.510182 0.687845 Li\n0.106025 0.483196 0.313354 Li\n0.692184 0.496040 0.106866 Li\n0.204894 0.999261 0.591519 Li\n-0.000476 0.000592 0.999781 Mn\n0.604393 0.001937 0.790884 Mn\n0.798162 -0.001257 0.403224 Co\n0.398853 -0.001195 0.202029 Co\n0.343760 0.776849 0.040871 O\n0.050980 0.218008 0.158504 O\n0.251055 0.229931 0.769191 O\n0.657779 0.223273 0.952987 O\n0.827722 0.230101 0.557350 O\n0.464667 0.224141 0.342776 O\n0.567143 0.771157 0.650988 O\n0.747452 0.781347 0.245257 O\n0.147713 0.771451 0.433493 O\n0.932198 0.773382 0.861358 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
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"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.348313367096821,
"density_atomic": 0.1219712326143162,
"volume": 163.97309079626805,
"volume_molar": 4.937345168136933,
"formula_full": "Li6 Mn2 Co2 O10",
"formula_reduced": "Li3MnCoO5",
"formula_anonymous": "ABC3D5",
"energy_above_hull": 2.396367564137931,
"spacegroup": 1
},
{
"id": "jvasp-122017",
"created_at": "2022-09-04T14:38:54.468009Z",
"updated_at": "2022-09-04T14:38:54.468037Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n4.891269 -0.027549 0.467870\n0.719490 4.699467 1.471990\n0.018553 0.011913 8.545450\nLi Mn Co O\n7 2 3 12\ndirect\n0.244846 0.419006 0.090502 Li\n0.748360 0.586940 0.912385 Li\n0.251353 0.747495 0.742010 Li\n0.235763 0.082409 0.419059 Li\n0.761101 0.249205 0.262298 Li\n0.762795 0.915138 0.573852 Li\n0.000450 0.658876 0.341318 Li\n0.999196 0.000241 0.000700 Mn\n0.499900 0.827105 0.175207 Mn\n0.000331 0.335218 0.663262 Co\n0.499847 0.500816 0.498059 Co\n0.499633 0.166358 0.832914 Co\n0.863089 0.657184 0.116171 O\n0.135620 0.037101 0.192580 O\n0.633690 0.186133 0.037244 O\n0.129398 0.350683 0.870272 O\n0.135827 0.680001 0.547001 O\n0.605942 0.862376 0.368642 O\n0.630224 0.509752 0.702840 O\n0.365804 0.812505 0.963268 O\n0.869601 0.980974 0.797296 O\n0.369599 0.154889 0.631922 O\n0.392670 0.480558 0.290564 O\n0.864957 0.299037 0.470637 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.456185399799469,
"density_atomic": 0.12215304502026376,
"volume": 196.47484019754629,
"volume_molar": 4.929996431117209,
"formula_full": "Li7 Mn2 Co3 O12",
"formula_reduced": "Li7Mn2(CoO4)3",
"formula_anonymous": "A2B3C7D12",
"energy_above_hull": 2.6894591326149424,
"spacegroup": 1
},
{
"id": "jvasp-122006",
"created_at": "2022-09-04T14:38:54.350610Z",
"updated_at": "2022-09-04T14:38:54.350635Z",
"structure_string": "Li5 Mn1 Co2 O8\n1.0\n5.417425 -0.019368 1.573325\n2.462750 4.825321 1.573325\n0.043035 0.026246 4.957196\nLi Mn Co O\n5 1 2 8\ndirect\n0.746570 0.746570 0.502219 Li\n0.268151 0.731849 0.499999 Li\n0.731849 0.268151 0.499999 Li\n0.253430 0.253430 0.497780 Li\n0.500000 0.500000 -0.000001 Li\n0.000000 0.000000 0.000000 Mn\n0.500000 -0.000000 -0.000000 Co\n0.000000 0.500000 -0.000000 Co\n0.638913 0.638913 0.221655 O\n0.113349 0.638792 0.227930 O\n0.638792 0.113348 0.227931 O\n0.129614 0.129614 0.220618 O\n0.870386 0.870386 0.779381 O\n0.361208 0.886652 0.772068 O\n0.886651 0.361208 0.772068 O\n0.361087 0.361087 0.778344 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.306344886254274,
"density_atomic": 0.12367478654995732,
"volume": 129.37155944503647,
"volume_molar": 4.869335883241981,
"formula_full": "Li5 Mn1 Co2 O8",
"formula_reduced": "Li5Mn(CoO4)2",
"formula_anonymous": "AB2C5D8",
"energy_above_hull": 2.498697315086207,
"spacegroup": 12
},
{
"id": "jvasp-40698",
"created_at": "2022-09-04T14:37:54.862976Z",
"updated_at": "2022-09-04T14:37:54.863002Z",
"structure_string": "Li6 Mn5 Co1 O12\n1.0\n5.044339 -0.009975 0.198739\n-2.161245 -4.561866 -0.127897\n-1.482593 0.414646 -10.199827\nLi Mn Co O\n6 5 1 12\ndirect\n0.718158 0.976039 0.214454 Li\n0.056461 0.653042 0.219616 Li\n0.626907 0.698836 0.786365 Li\n0.281842 0.023960 0.785547 Li\n0.373092 0.301163 0.213636 Li\n0.943539 0.346957 0.780385 Li\n0.669337 0.332876 0.000194 Mn\n0.831447 0.668402 0.500012 Mn\n0.500000 -0.000001 0.500000 Mn\n0.330662 0.667123 0.999806 Mn\n0.168553 0.331597 0.499989 Mn\n0.000000 0.000000 0.000000 Co\n0.759379 0.962599 0.396003 O\n0.996654 0.296519 0.116863 O\n0.863968 0.332777 0.592909 O\n0.666381 0.042872 0.884444 O\n0.333619 0.957127 0.115557 O\n0.427453 0.293385 0.395851 O\n0.660449 0.620487 0.116877 O\n0.339551 0.379512 0.883123 O\n0.572547 0.706614 0.604150 O\n0.240621 0.037401 0.603997 O\n0.136032 0.667222 0.407092 O\n0.003345 0.703481 0.883137 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.031028780507332,
"density_atomic": 0.10270561391752277,
"volume": 233.67758669232123,
"volume_molar": 5.863497164659422,
"formula_full": "Li6 Mn5 Co1 O12",
"formula_reduced": "Li6Mn5CoO12",
"formula_anonymous": "AB5C6D12",
"energy_above_hull": 2.9806062127873565,
"spacegroup": 2
},
{
"id": "jvasp-40677",
"created_at": "2022-09-04T14:37:53.597840Z",
"updated_at": "2022-09-04T14:37:53.597860Z",
"structure_string": "Li6 Mn5 Co1 O12\n1.0\n4.990931 -0.016429 -0.024323\n2.072783 4.540049 0.038018\n1.055500 0.917625 9.876412\nLi Mn Co O\n6 5 1 12\ndirect\n0.365353 0.044908 0.764269 Li\n0.032785 0.713963 0.764873 Li\n0.271359 0.649152 0.237894 Li\n0.634645 0.955093 0.235731 Li\n0.728639 0.350849 0.762106 Li\n0.967213 0.286038 0.235127 Li\n0.330092 0.329889 -0.000071 Mn\n0.167737 0.664902 0.501899 Mn\n0.500000 0.000000 0.500000 Mn\n0.669907 0.670111 0.000072 Mn\n0.832261 0.335099 0.498101 Mn\n0.000000 0.000000 0.000000 Co\n0.186714 0.942414 0.613963 O\n0.051855 0.322450 0.882991 O\n0.147395 0.391852 0.387134 O\n0.283591 0.012566 0.116957 O\n0.716408 0.987435 0.883043 O\n0.521359 0.275508 0.612483 O\n0.346488 0.687205 0.898918 O\n0.653511 0.312796 0.101082 O\n0.478640 0.724494 0.387518 O\n0.813285 0.057587 0.386038 O\n0.852603 0.608149 0.612867 O\n0.948143 0.677551 0.117010 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.20476719513163,
"density_atomic": 0.10713225324625511,
"volume": 224.02217140746023,
"volume_molar": 5.621221039902387,
"formula_full": "Li6 Mn5 Co1 O12",
"formula_reduced": "Li6Mn5CoO12",
"formula_anonymous": "AB5C6D12",
"energy_above_hull": 2.980705379454023,
"spacegroup": 2
},
{
"id": "jvasp-120424",
"created_at": "2022-09-04T14:38:37.241729Z",
"updated_at": "2022-09-04T14:38:37.241747Z",
"structure_string": "Li7 Mn4 Co1 O12\n1.0\n6.383282 -0.020276 0.696028\n0.702383 6.344553 0.696028\n0.072304 0.064534 4.901213\nLi Mn Co O\n7 4 1 12\ndirect\n0.092001 0.429853 0.757298 Li\n0.570146 0.907998 0.242703 Li\n0.927082 0.586871 0.247024 Li\n0.413128 0.072917 0.752977 Li\n0.746114 0.749731 0.755700 Li\n0.250267 0.253885 0.244301 Li\n0.332274 0.667725 0.000001 Li\n0.006178 0.993821 0.000001 Mn\n0.496113 0.503885 0.500000 Mn\n0.830059 0.169940 0.500000 Mn\n0.666155 0.333844 0.000001 Mn\n0.168200 0.831798 0.500000 Co\n0.947827 0.280834 0.121824 O\n0.449686 0.778040 0.608659 O\n0.777505 0.450505 0.633722 O\n0.270135 0.957958 0.134058 O\n0.626218 0.601522 0.139054 O\n0.109535 0.109767 0.631049 O\n0.221959 0.550313 0.391342 O\n0.719164 0.052172 0.878177 O\n0.042041 0.729864 0.865943 O\n0.549493 0.222493 0.366279 O\n0.890231 0.890463 0.368952 O\n0.398477 0.373780 0.860947 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.355093442051846,
"density_atomic": 0.12121892398450608,
"volume": 197.98888829493012,
"volume_molar": 4.967987309283273,
"formula_full": "Li7 Mn4 Co1 O12",
"formula_reduced": "Li7Mn4CoO12",
"formula_anonymous": "AB4C7D12",
"energy_above_hull": 2.786208411063218,
"spacegroup": 5
},
{
"id": "jvasp-111962",
"created_at": "2022-09-04T14:38:41.535871Z",
"updated_at": "2022-09-04T14:38:41.535889Z",
"structure_string": "Li3 Mn2 Co2 O8\n1.0\n2.838060 0.018268 -0.032808\n-0.031932 4.878586 -0.069299\n0.105763 0.048409 9.618496\nLi Mn Co O\n3 2 2 8\ndirect\n0.616227 0.798058 0.240594 Li\n0.117964 0.949510 0.742970 Li\n0.116416 0.293979 0.240348 Li\n0.616065 0.457113 0.991030 Mn\n0.117412 0.302165 0.503498 Mn\n0.617399 0.798959 0.495130 Co\n0.116056 0.958181 0.001813 Co\n0.116253 0.621520 0.109504 O\n0.617593 0.126107 0.606195 O\n0.617175 0.460154 0.386275 O\n0.615903 0.794159 0.894777 O\n0.616235 0.131081 0.110460 O\n0.117566 0.640861 0.598707 O\n0.117172 0.970038 0.385847 O\n0.115925 0.280967 0.893354 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
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"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.694151423561262,
"density_atomic": 0.11260671439942727,
"volume": 133.20697686634833,
"volume_molar": 5.347941099354755,
"formula_full": "Li3 Mn2 Co2 O8",
"formula_reduced": "Li3Mn2(CoO4)2",
"formula_anonymous": "A2B2C3D8",
"energy_above_hull": 2.8964442855172416,
"spacegroup": 6
},
{
"id": "jvasp-112510",
"created_at": "2022-09-04T14:38:40.674126Z",
"updated_at": "2022-09-04T14:38:40.674152Z",
"structure_string": "Li2 Mn2 Co2 O8\n1.0\n4.972010 -0.001882 -2.678346\n-1.640646 4.673925 -2.710689\n-0.019996 -0.106641 5.645293\nLi Mn Co O\n2 2 2 8\ndirect\n-0.000001 0.499999 -0.000001 Li\n-0.000000 0.000000 0.500000 Li\n0.499999 0.500000 0.499999 Mn\n0.500000 0.000000 -0.000000 Mn\n0.000000 0.000000 0.000000 Co\n0.500000 0.000000 0.499999 Co\n0.741262 0.211959 0.970801 O\n0.279272 0.757445 0.521686 O\n0.258850 0.229527 0.470799 O\n0.735752 0.757572 -0.021706 O\n0.264247 0.242427 0.021704 O\n0.741148 0.770473 0.529198 O\n0.720727 0.242555 0.478311 O\n0.258736 0.788041 0.029196 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
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"Co",
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],
"chemical_system": "Co-Li-Mn-O",
"density": 4.757296027510356,
"density_atomic": 0.10851356414349854,
"volume": 129.01612909411375,
"volume_molar": 5.549666355107746,
"formula_full": "Li2 Mn2 Co2 O8",
"formula_reduced": "LiMnCoO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.660793163054187,
"spacegroup": 74
},
{
"id": "jvasp-112505",
"created_at": "2022-09-04T14:38:41.486362Z",
"updated_at": "2022-09-04T14:38:41.486380Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n4.893887 -0.060699 -0.899082\n-0.936718 4.731274 -0.855835\n0.063562 0.135654 9.878676\nLi Mn Co O\n8 2 4 14\ndirect\n0.427427 0.706236 0.921386 Li\n0.570996 0.289382 0.074107 Li\n0.286079 0.142212 0.775786 Li\n0.148530 0.575033 0.630769 Li\n0.003784 0.989911 0.498920 Li\n0.856553 0.437837 0.369694 Li\n0.708928 0.864916 0.230471 Li\n0.434073 0.716807 0.434367 Li\n0.997572 0.998237 0.997636 Mn\n0.146851 0.574987 0.150486 Mn\n0.714570 0.856081 0.711375 Co\n0.857685 0.427583 0.855808 Co\n0.284206 0.143652 0.287541 Co\n0.570661 0.284303 0.568797 Co\n0.617564 0.091471 0.394470 O\n0.668616 0.074552 0.890707 O\n0.807327 0.647098 0.030340 O\n0.532252 0.503323 0.746012 O\n0.388137 0.941533 0.612596 O\n0.233891 0.334436 0.459886 O\n0.075444 0.785692 0.308390 O\n0.945086 0.216739 0.170880 O\n0.191853 0.352269 0.967840 O\n0.331647 0.922309 0.107841 O\n0.051856 0.783377 0.828026 O\n0.901441 0.211855 0.684986 O\n0.778139 0.638896 0.547968 O\n0.468818 0.489245 0.242914 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
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"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.530429428485026,
"density_atomic": 0.12220220020827458,
"volume": 229.1284441055756,
"volume_molar": 4.928013366155602,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 2.554892395812808,
"spacegroup": 1
},
{
"id": "jvasp-111654",
"created_at": "2022-09-04T14:38:40.772769Z",
"updated_at": "2022-09-04T14:38:40.772790Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n2.836979 -0.068999 0.030396\n0.122801 5.591196 1.297972\n-0.135991 -0.126406 12.433062\nLi Mn Co O\n7 2 3 12\ndirect\n0.000033 0.517944 0.979192 Li\n0.500088 0.345982 0.827416 Li\n0.499829 0.669735 0.162626 Li\n-0.000074 0.832856 0.334881 Li\n0.500065 0.991514 0.509324 Li\n0.000200 0.145049 0.682643 Li\n0.500054 0.825204 0.829516 Li\n-0.000016 0.001249 0.993164 Mn\n0.999946 0.332667 0.334861 Mn\n0.500005 0.499348 0.500633 Co\n0.499950 0.166443 0.167800 Co\n0.000034 0.668625 0.669767 Co\n0.000032 0.270767 0.492181 O\n0.499933 0.228708 0.010613 O\n0.000013 0.082970 0.847719 O\n0.999903 0.393005 0.176100 O\n0.499905 0.563966 0.337068 O\n-0.000028 0.721027 0.505760 O\n0.499996 0.892767 0.665891 O\n0.500022 0.774755 0.002536 O\n0.000064 0.587263 0.821483 O\n-0.000006 0.943677 0.162730 O\n0.499989 0.101934 0.329843 O\n0.500064 0.442545 0.656252 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.425879760308337,
"density_atomic": 0.1213223062127414,
"volume": 197.82017626598244,
"volume_molar": 4.963753944340657,
"formula_full": "Li7 Mn2 Co3 O12",
"formula_reduced": "Li7Mn2(CoO4)3",
"formula_anonymous": "A2B3C7D12",
"energy_above_hull": 2.6922203826149427,
"spacegroup": 6
},
{
"id": "jvasp-112763",
"created_at": "2022-09-04T14:38:42.189140Z",
"updated_at": "2022-09-04T14:38:42.189166Z",
"structure_string": "Li6 Mn2 Co2 O10\n1.0\n2.819639 0.000246 -0.390061\n-0.106164 5.706650 -0.764320\n-0.019924 0.003127 10.241615\nLi Mn Co O\n6 2 2 10\ndirect\n0.600016 0.300002 0.199994 Li\n0.600019 0.800001 0.199995 Li\n0.007424 0.510753 0.014628 Li\n0.192606 0.089252 0.385378 Li\n0.398706 0.696929 0.797425 Li\n0.801176 0.903045 0.602584 Li\n0.196781 0.602488 0.393609 Mn\n0.003184 0.997521 0.006389 Mn\n0.399914 0.200727 0.799785 Co\n0.800119 0.399272 0.600214 Co\n0.702088 0.827008 0.404201 O\n0.495675 0.228309 0.991327 O\n0.704338 0.371701 0.408674 O\n0.092259 0.048398 0.184531 O\n0.107734 0.551609 0.215471 O\n0.895456 0.423325 0.790868 O\n0.304589 0.176673 0.609132 O\n0.296972 0.625554 0.593938 O\n0.903060 0.974445 0.806064 O\n0.497916 0.772998 -0.004199 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.327611820281554,
"density_atomic": 0.12139054926219457,
"volume": 164.75747182592843,
"volume_molar": 4.960963432987376,
"formula_full": "Li6 Mn2 Co2 O10",
"formula_reduced": "Li3MnCoO5",
"formula_anonymous": "ABC3D5",
"energy_above_hull": 2.396949564137931,
"spacegroup": 12
},
{
"id": "jvasp-116508",
"created_at": "2022-09-04T14:38:41.930724Z",
"updated_at": "2022-09-04T14:38:41.930752Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n8.728320 -0.041345 3.856318\n8.277984 2.767717 3.856318\n0.191094 0.030635 9.485237\nLi Mn Co O\n8 2 4 14\ndirect\n0.342571 0.342573 0.076773 Li\n0.083425 0.083427 0.202242 Li\n0.786438 0.786443 0.353066 Li\n0.498133 0.498138 0.500170 Li\n0.215787 0.215790 0.649301 Li\n0.924708 0.924717 0.783910 Li\n0.650485 0.650492 0.933434 Li\n0.713852 0.713857 0.134852 Li\n0.999405 0.999411 0.000546 Mn\n0.145942 0.145944 0.422298 Mn\n0.569957 0.569963 0.715542 Co\n0.284698 0.284702 0.861712 Co\n0.429148 0.429151 0.285159 Co\n0.857830 0.857838 0.570891 Co\n0.818752 0.818760 0.951881 O\n0.469399 0.469405 0.897222 O\n0.184069 0.184070 0.023954 O\n0.900266 0.900272 0.178868 O\n0.608810 0.608814 0.337244 O\n0.330694 0.330698 0.465754 O\n0.041413 0.041416 0.613425 O\n0.758727 0.758734 0.749567 O\n0.243077 0.243080 0.269865 O\n0.956996 0.957003 0.387627 O\n0.670198 0.670204 0.539134 O\n0.386330 0.386335 0.673571 O\n0.098708 0.098712 0.819384 O\n0.530111 0.530114 0.102618 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.508109002255238,
"density_atomic": 0.12160013692974367,
"volume": 230.2628986032921,
"volume_molar": 4.952412811409401,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 2.5554181100985223,
"spacegroup": 8
}
]
}