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{
"count": 55712,
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"results": [
{
"id": "jvasp-118995",
"created_at": "2022-09-04T14:38:31.990187Z",
"updated_at": "2022-09-04T14:38:31.990210Z",
"structure_string": "Li7 Mn4 Co1 O12\n1.0\n2.833755 -0.079083 0.042375\n0.133592 5.631183 1.307340\n-0.191595 -0.128884 12.441043\nLi Mn Co O\n7 4 1 12\ndirect\n0.000127 0.479354 0.017010 Li\n0.500040 0.328397 0.836746 Li\n0.500003 0.665831 0.166896 Li\n0.999909 0.848336 0.319731 Li\n0.499914 0.003446 0.496579 Li\n-0.000019 0.174936 0.662979 Li\n0.500005 0.165191 0.167759 Li\n0.000131 -0.001082 0.007223 Mn\n-0.000115 0.333487 0.327630 Mn\n0.500022 0.829597 0.832281 Mn\n0.000006 0.671182 0.666140 Mn\n0.499953 0.501951 0.499624 Co\n0.500350 0.225684 -0.001408 O\n0.000264 0.059040 0.836677 O\n-0.000026 0.412818 0.180397 O\n0.500144 0.562402 0.341940 O\n0.000166 0.727020 0.507852 O\n0.500250 0.903608 0.669901 O\n0.499855 0.767520 0.991424 O\n-0.000219 0.598224 0.827735 O\n0.000095 0.918582 0.153927 O\n0.499660 0.105754 0.335762 O\n-0.000278 0.278038 0.494330 O\n0.499780 0.440687 0.660868 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
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"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.328608008496825,
"density_atomic": 0.12048173296908432,
"volume": 199.20032197875517,
"volume_molar": 4.998384909972439,
"formula_full": "Li7 Mn4 Co1 O12",
"formula_reduced": "Li7Mn4CoO12",
"formula_anonymous": "AB4C7D12",
"energy_above_hull": 2.786090911063218,
"spacegroup": 6
},
{
"id": "jvasp-118994",
"created_at": "2022-09-04T14:38:31.964268Z",
"updated_at": "2022-09-04T14:38:31.964294Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n6.186579 -0.036668 4.261594\n5.548645 2.736355 4.261594\n-0.033786 -0.007773 11.535178\nLi Mn Co O\n7 2 3 12\ndirect\n0.668697 0.668701 0.741755 Li\n0.000305 0.000306 0.257582 Li\n0.349408 0.349411 0.732878 Li\n0.651819 0.651821 0.274194 Li\n0.005342 0.005344 0.733558 Li\n0.326641 0.326642 0.257596 Li\n0.002136 0.002137 0.504135 Li\n-0.000493 -0.000493 0.000204 Mn\n0.339641 0.339643 0.496248 Mn\n0.332751 0.332754 0.999583 Co\n0.662917 0.662919 0.501242 Co\n0.666334 0.666335 0.000481 Co\n0.174047 0.174049 0.609149 O\n0.495025 0.495029 0.889878 O\n0.827424 0.827427 0.388903 O\n0.158653 0.158655 0.891098 O\n0.488714 0.488716 0.379058 O\n0.823968 0.823972 0.894725 O\n0.167154 0.167155 0.387684 O\n0.831574 0.831577 0.613186 O\n0.174896 0.174896 0.105526 O\n0.508992 0.508995 0.620917 O\n0.840242 0.840244 0.109167 O\n0.503788 0.503789 0.111253 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.420908693462831,
"density_atomic": 0.12118603922703536,
"volume": 198.0426140921837,
"volume_molar": 4.969335410589541,
"formula_full": "Li7 Mn2 Co3 O12",
"formula_reduced": "Li7Mn2(CoO4)3",
"formula_anonymous": "A2B3C7D12",
"energy_above_hull": 2.6908795492816093,
"spacegroup": 8
},
{
"id": "jvasp-118993",
"created_at": "2022-09-04T14:38:31.941332Z",
"updated_at": "2022-09-04T14:38:31.941369Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n4.860033 0.030478 1.055799\n1.413371 5.395543 1.046187\n-0.005324 0.037754 7.485069\nLi Mn Co O\n7 2 3 12\ndirect\n0.502042 0.825088 0.163937 Li\n0.492331 0.347574 0.159056 Li\n0.504427 0.498393 0.496279 Li\n0.497825 0.005142 0.494559 Li\n0.495905 0.175836 0.839170 Li\n0.507320 0.649832 0.846566 Li\n0.997449 0.498490 0.004448 Li\n0.002369 0.002630 0.003406 Mn\n0.001771 0.825686 0.669162 Mn\n-0.001989 0.170607 0.330348 Co\n0.000047 0.332442 0.668602 Co\n0.998533 0.666020 0.331374 Co\n0.773819 0.843104 0.904623 O\n0.230465 0.157335 0.089457 O\n0.228159 0.682877 0.089506 O\n0.221182 0.842762 0.421518 O\n0.211446 0.340748 0.420203 O\n0.231672 0.509740 0.737189 O\n0.223820 0.003367 0.753854 O\n0.770247 0.494042 0.260073 O\n0.778628 -0.005421 0.245470 O\n0.780872 0.157124 0.578188 O\n0.780095 0.660035 0.581401 O\n0.771566 0.316541 0.911620 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.470414893187163,
"density_atomic": 0.12254310418308065,
"volume": 195.84945362689487,
"volume_molar": 4.914304072959389,
"formula_full": "Li7 Mn2 Co3 O12",
"formula_reduced": "Li7Mn2(CoO4)3",
"formula_anonymous": "A2B3C7D12",
"energy_above_hull": 2.6895070492816093,
"spacegroup": 1
},
{
"id": "jvasp-118992",
"created_at": "2022-09-04T14:38:52.618240Z",
"updated_at": "2022-09-04T14:38:52.618261Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n2.842622 -0.016724 -0.029141\n-1.393850 7.285264 -1.365468\n0.101852 0.053210 9.520952\nLi Mn Co O\n7 2 3 12\ndirect\n0.750377 0.000734 0.743921 Li\n0.249622 -0.000734 0.256079 Li\n0.424199 0.348654 0.757301 Li\n0.918057 0.336574 0.250015 Li\n0.081942 0.663426 0.749985 Li\n0.575800 0.651346 0.242698 Li\n-0.000000 0.500000 -0.000000 Li\n0.660683 0.821394 0.996421 Mn\n0.339316 0.178606 0.003579 Mn\n0.833477 0.166900 0.501528 Co\n0.499999 0.500000 0.500000 Co\n0.166522 0.833100 0.498472 Co\n0.623732 0.747831 0.605992 O\n0.209576 0.918888 0.888904 O\n0.710399 0.920578 0.391286 O\n0.869713 0.239093 0.885683 O\n0.376266 0.252169 0.394008 O\n0.551471 0.602792 0.879593 O\n0.043056 0.585861 0.391020 O\n0.289599 0.079422 0.608714 O\n0.790423 0.081112 0.111096 O\n0.956943 0.414139 0.608980 O\n0.448527 0.397208 0.120407 O\n0.130286 0.760907 0.114317 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.440192864672556,
"density_atomic": 0.12171465732135119,
"volume": 197.18249657175775,
"volume_molar": 4.947753124013928,
"formula_full": "Li7 Mn2 Co3 O12",
"formula_reduced": "Li7Mn2(CoO4)3",
"formula_anonymous": "A2B3C7D12",
"energy_above_hull": 2.689508715948276,
"spacegroup": 12
},
{
"id": "jvasp-118991",
"created_at": "2022-09-04T14:38:52.409035Z",
"updated_at": "2022-09-04T14:38:52.409062Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n2.827432 0.035946 -0.187317\n-0.055301 4.978128 0.090787\n-0.346663 0.314301 16.380651\nLi Mn Co O\n8 2 4 14\ndirect\n0.925205 0.357853 0.850333 Li\n0.352072 0.228493 0.703645 Li\n0.784313 0.070256 0.567673 Li\n0.217209 0.924291 0.434338 Li\n0.646942 0.789647 0.294076 Li\n0.074188 0.638359 0.148858 Li\n0.500917 0.493495 0.002184 Li\n0.285125 0.573095 0.569976 Li\n0.000391 -0.002436 0.000992 Mn\n0.428183 0.852607 0.856803 Mn\n0.142996 0.287606 0.285849 Co\n0.571872 0.138732 0.143869 Co\n0.854603 0.714983 0.709492 Co\n0.716164 0.434097 0.431789 Co\n0.534564 0.837319 0.068857 O\n0.465658 0.156031 0.932051 O\n0.895941 0.011569 0.792763 O\n0.325299 0.877510 0.651322 O\n0.746528 0.733908 0.492569 O\n0.179221 0.577982 0.358452 O\n0.607650 0.433358 0.215674 O\n0.036580 0.291163 0.073763 O\n0.392816 0.564446 0.785528 O\n0.824189 0.416848 0.648425 O\n0.245916 0.269437 0.490789 O\n0.676045 0.143078 0.351461 O\n0.105521 -0.007440 0.210667 O\n0.963901 0.693727 0.927801 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
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"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.509465616393132,
"density_atomic": 0.1216367297594304,
"volume": 230.19362700212005,
"volume_molar": 4.950922942363229,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 2.5586745386699508,
"spacegroup": 8
},
{
"id": "jvasp-118990",
"created_at": "2022-09-04T14:38:48.247223Z",
"updated_at": "2022-09-04T14:38:48.247253Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n5.975006 0.032865 2.100461\n5.284092 2.789291 2.100461\n0.158924 0.039835 14.012254\nLi Mn Co O\n8 2 4 14\ndirect\n0.500001 0.499999 -0.000000 Li\n0.064169 0.064169 0.153728 Li\n0.635341 0.635339 0.299254 Li\n0.935831 0.935830 0.846271 Li\n0.364660 0.364661 0.700746 Li\n0.200481 0.200482 0.436284 Li\n0.799519 0.799517 0.563716 Li\n0.500000 0.500000 0.500000 Li\n0.213619 0.213622 0.928666 Mn\n0.786381 0.786378 0.071333 Mn\n0.071604 0.071606 0.639376 Co\n0.644773 0.644773 0.784857 Co\n0.355228 0.355227 0.215143 Co\n0.928396 0.928393 0.360624 Co\n0.062991 0.062992 0.389514 O\n0.650410 0.650407 0.030136 O\n0.223125 0.223125 0.168266 O\n0.798316 0.798313 0.309427 O\n0.082027 0.082030 0.887377 O\n0.514613 0.514613 0.742463 O\n0.361306 0.361306 0.450248 O\n0.937010 0.937008 0.610486 O\n0.349591 0.349593 0.969863 O\n0.917974 0.917970 0.112622 O\n0.485387 0.485386 0.257537 O\n0.776875 0.776875 0.831733 O\n0.201684 0.201686 0.690573 O\n0.638694 0.638693 0.549752 O\n",
"nsites": 28,
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"elements": [
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],
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"density": 4.510961003339332,
"density_atomic": 0.12167706579774046,
"volume": 230.11731764261495,
"volume_molar": 4.949281707705208,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 2.5581981100985223,
"spacegroup": 12
},
{
"id": "jvasp-118989",
"created_at": "2022-09-04T14:38:31.795999Z",
"updated_at": "2022-09-04T14:38:31.796027Z",
"structure_string": "Li6 Mn3 Co1 O10\n1.0\n10.427397 -0.040496 1.375294\n10.051823 2.773641 1.375294\n-0.030972 -0.004133 5.816657\nLi Mn Co O\n6 3 1 10\ndirect\n0.401463 0.401462 0.297696 Li\n0.192276 0.192278 0.913096 Li\n0.794976 0.794973 0.109195 Li\n0.599406 0.599406 0.700353 Li\n0.009028 0.009029 0.484887 Li\n0.600500 0.600498 0.198118 Li\n0.004037 0.004037 0.003075 Mn\n0.799861 0.799859 0.598155 Mn\n0.400965 0.400965 0.799914 Mn\n0.189178 0.189178 0.392328 Co\n0.497844 0.497843 0.224622 O\n0.307284 0.307285 0.829455 O\n0.903317 0.903314 0.025966 O\n0.710420 0.710419 0.639166 O\n0.101874 0.101875 0.455563 O\n0.304040 0.304039 0.375525 O\n0.089934 0.089936 0.951613 O\n0.701678 0.701676 0.158338 O\n0.494175 0.494175 0.770571 O\n0.897751 0.897749 0.572362 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
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"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.137649724207645,
"density_atomic": 0.11715209789329913,
"volume": 170.71824030172968,
"volume_molar": 5.140446366982606,
"formula_full": "Li6 Mn3 Co1 O10",
"formula_reduced": "Li6Mn3CoO10",
"formula_anonymous": "AB3C6D10",
"energy_above_hull": 2.6997833812068963,
"spacegroup": 8
},
{
"id": "jvasp-118988",
"created_at": "2022-09-04T14:38:31.735106Z",
"updated_at": "2022-09-04T14:38:31.735132Z",
"structure_string": "Li8 Mn6 O14\n1.0\n2.941592 -0.018723 0.331105\n0.671448 7.599524 1.247179\n-0.060814 0.015378 11.119804\nLi Mn O\n8 6 14\ndirect\n0.640833 0.163246 0.934312 Li\n0.860598 0.576947 0.199928 Li\n0.000001 0.000000 0.500000 Li\n0.139404 0.423053 0.800072 Li\n0.359168 0.836754 0.065688 Li\n0.429514 0.286499 0.355135 Li\n0.570487 0.713501 0.644865 Li\n0.500000 0.500000 0.000000 Li\n0.612240 0.935326 0.284048 Mn\n0.387761 0.064674 0.715952 Mn\n0.788340 0.357476 0.573933 Mn\n0.035546 0.226388 0.138124 Mn\n0.964456 0.773612 0.861876 Mn\n0.211662 0.642524 0.426068 Mn\n0.598890 0.056897 0.117857 O\n0.517930 0.627317 0.826451 O\n0.427945 0.175723 0.546413 O\n0.270580 0.747944 0.255064 O\n0.084314 0.310414 0.976292 O\n0.148732 0.539713 0.598237 O\n-0.012205 0.108506 0.312058 O\n0.729421 0.252056 0.744936 O\n0.572056 0.824277 0.453587 O\n0.482071 0.372683 0.173549 O\n0.401112 0.943103 0.882143 O\n0.851269 0.460287 0.401763 O\n0.915687 0.689586 0.023708 O\n0.012207 0.891494 0.687942 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
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"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 4.065225177389606,
"density_atomic": 0.11253064562768636,
"volume": 248.8211086306169,
"volume_molar": 5.351556215117235,
"formula_full": "Li8 Mn6 O14",
"formula_reduced": "Li4Mn3O7",
"formula_anonymous": "A3B4C7",
"energy_above_hull": 2.709439016009852,
"spacegroup": 2
},
{
"id": "jvasp-118987",
"created_at": "2022-09-04T14:38:47.449559Z",
"updated_at": "2022-09-04T14:38:47.449592Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n14.267422 -0.071523 1.523669\n14.000152 2.749578 1.523669\n0.047240 0.004475 5.723009\nLi Mn Co O\n8 2 4 14\ndirect\n0.428114 0.428118 0.786563 Li\n0.275349 0.275351 0.345750 Li\n0.150955 0.150959 0.936474 Li\n0.854437 0.854441 0.074786 Li\n0.713952 0.713957 0.644751 Li\n0.575504 0.575507 0.213976 Li\n0.001663 0.001664 0.498242 Li\n0.713550 0.713554 0.141592 Li\n0.000407 0.000407 -0.000790 Mn\n0.856506 0.856511 0.571420 Mn\n0.284071 0.284075 0.862038 Co\n0.144381 0.144383 0.425144 Co\n0.571637 0.571642 0.714255 Co\n0.428858 0.428861 0.286262 Co\n0.497699 0.497702 0.235357 O\n0.501432 0.501437 0.765207 O\n0.360818 0.360821 0.335939 O\n0.220049 0.220052 0.886629 O\n0.932084 0.932088 0.052647 O\n0.790186 0.790192 0.617939 O\n0.642496 0.642500 0.204268 O\n0.073999 0.074000 0.487903 O\n0.356182 0.356186 0.802554 O\n0.208216 0.208218 0.400440 O\n0.067524 0.067528 0.949635 O\n0.786081 0.786084 0.080199 O\n0.638148 0.638153 0.661507 O\n0.925651 0.925656 0.519323 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
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"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.512557448030564,
"density_atomic": 0.12172012773190342,
"volume": 230.0359071399583,
"volume_molar": 4.947530759468278,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 2.5582516815270937,
"spacegroup": 8
},
{
"id": "jvasp-118986",
"created_at": "2022-09-04T14:38:50.733823Z",
"updated_at": "2022-09-04T14:38:50.733851Z",
"structure_string": "Li7 Co5 O12\n1.0\n5.087273 0.003130 -2.503311\n-1.931158 5.997825 -0.708738\n-0.036495 0.031784 6.340154\nLi Co O\n7 5 12\ndirect\n0.747918 -0.000978 0.496181 Li\n0.255403 0.325409 0.834764 Li\n0.258707 0.677694 0.164591 Li\n0.741291 0.322306 0.835407 Li\n0.252080 0.000977 0.503818 Li\n0.744595 0.674592 0.165235 Li\n0.500000 0.000000 -0.000000 Li\n0.995401 0.330674 0.329738 Co\n0.004597 0.669326 0.670260 Co\n0.500508 0.669337 0.670997 Co\n0.000000 0.000000 0.000000 Co\n0.499490 0.330663 0.329002 Co\n0.889680 0.017490 0.242376 O\n0.110318 0.982510 0.757623 O\n0.641235 0.339930 0.110394 O\n0.629729 0.651597 0.435525 O\n0.128804 0.319572 0.099149 O\n0.638659 0.982713 0.757860 O\n0.132642 0.652681 0.436882 O\n0.361339 0.017287 0.242138 O\n0.867356 0.347319 0.563116 O\n0.871194 0.680428 0.900850 O\n0.370269 0.348403 0.564474 O\n0.358763 0.660070 0.889604 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Li",
"Co",
"O"
],
"chemical_system": "Co-Li-O",
"density": 4.600083739091861,
"density_atomic": 0.12421516882783791,
"volume": 193.2131174193707,
"volume_molar": 4.8481524574077435,
"formula_full": "Li7 Co5 O12",
"formula_reduced": "Li7Co5O12",
"formula_anonymous": "A5B7C12",
"energy_above_hull": 2.5958056875,
"spacegroup": 2
},
{
"id": "jvasp-118985",
"created_at": "2022-09-04T14:38:31.572291Z",
"updated_at": "2022-09-04T14:38:31.572304Z",
"structure_string": "Li7 Co5 O12\n1.0\n4.894048 0.006213 -0.509632\n-1.764182 5.282111 -1.045505\n-0.013274 -0.046468 7.483968\nLi Co O\n7 5 12\ndirect\n0.503675 0.090733 0.839788 Li\n0.498102 0.579426 0.842736 Li\n0.501488 0.248694 0.499373 Li\n0.498513 0.751305 0.500629 Li\n0.501900 0.420573 0.157266 Li\n0.496326 0.909266 0.160214 Li\n0.000000 0.500000 0.000000 Li\n0.001340 0.334899 0.330245 Co\n-0.001339 0.665100 0.669756 Co\n0.000545 0.830149 0.329967 Co\n0.000000 0.000000 0.000000 Co\n-0.000544 0.169851 0.670034 Co\n0.773719 0.729531 0.092066 O\n0.223878 0.797089 0.905954 O\n0.226282 0.270468 0.907935 O\n0.214688 0.948746 0.578711 O\n0.217749 0.450084 0.581217 O\n0.219980 0.116468 0.245938 O\n0.228739 0.622809 0.262788 O\n0.771262 0.377190 0.737213 O\n0.780021 0.883531 0.754064 O\n0.782253 0.549915 0.418784 O\n0.785313 0.051253 0.421290 O\n0.776124 0.202910 0.094047 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Li",
"Co",
"O"
],
"chemical_system": "Co-Li-O",
"density": 4.599582220791299,
"density_atomic": 0.12420162642645831,
"volume": 193.2341845314785,
"volume_molar": 4.848681078718243,
"formula_full": "Li7 Co5 O12",
"formula_reduced": "Li7Co5O12",
"formula_anonymous": "A5B7C12",
"energy_above_hull": 2.595766104166666,
"spacegroup": 2
},
{
"id": "jvasp-118984",
"created_at": "2022-09-04T14:38:52.552733Z",
"updated_at": "2022-09-04T14:38:52.552765Z",
"structure_string": "Li6 Mn2 Co2 O10\n1.0\n4.875287 0.008171 -0.618761\n-1.859644 5.264134 -1.357099\n0.012181 -0.027296 6.391683\nLi Mn Co O\n6 2 2 10\ndirect\n0.196838 0.897384 0.405963 Li\n0.992489 0.500875 0.000782 Li\n0.410346 0.305403 0.788367 Li\n0.606951 0.691690 0.213709 Li\n0.797909 0.109279 0.593245 Li\n0.796672 0.592885 0.591767 Li\n-0.000284 0.999214 0.998502 Mn\n0.395610 0.791547 0.791593 Mn\n0.201065 0.402299 0.403240 Co\n0.600146 0.201106 0.201707 Co\n0.480184 0.741070 0.511814 O\n0.294573 0.863071 0.085313 O\n0.124008 0.466824 0.697207 O\n0.488286 0.251938 0.477657 O\n0.700339 0.678781 0.906514 O\n0.902869 0.069131 0.289172 O\n0.113808 0.951302 0.724255 O\n0.899096 0.522513 0.297733 O\n0.297313 0.331951 0.115070 O\n0.701786 0.131721 0.906380 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.34861123305446,
"density_atomic": 0.12197958782585225,
"volume": 163.9618591641217,
"volume_molar": 4.937006975788185,
"formula_full": "Li6 Mn2 Co2 O10",
"formula_reduced": "Li3MnCoO5",
"formula_anonymous": "ABC3D5",
"energy_above_hull": 2.396515564137931,
"spacegroup": 1
}
]
}