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{
"id": "jvasp-117313",
"created_at": "2022-09-04T14:38:26.481569Z",
"updated_at": "2022-09-04T14:38:26.481585Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n4.691479 -0.005244 -1.646688\n-1.951318 6.501052 -3.153540\n-0.052464 -0.076299 7.558280\nLi Mn Co O\n8 2 4 14\ndirect\n0.576235 0.219388 0.075929 Li\n0.001994 0.509342 0.503003 Li\n0.427825 0.777624 0.912968 Li\n0.852344 0.076255 0.359882 Li\n0.290565 0.359530 0.785197 Li\n0.710939 0.637419 0.222866 Li\n0.141047 0.919195 0.639714 Li\n0.569891 0.707446 0.569379 Li\n-0.006718 0.996660 0.991304 Mn\n0.291963 0.855120 0.291500 Mn\n0.713556 0.141446 0.713996 Co\n0.145987 0.430520 0.145519 Co\n0.429180 0.288048 0.429770 Co\n0.855197 0.573096 0.856210 Co\n0.143716 0.678526 0.375555 O\n0.119849 0.179957 0.898058 O\n0.543711 0.451176 0.317285 O\n0.001024 0.757946 0.768032 O\n0.404334 0.035070 0.182991 O\n0.829065 0.324375 0.616442 O\n0.267880 0.610184 0.046307 O\n0.691722 0.902411 0.461973 O\n0.024434 0.249097 0.244116 O\n0.448568 0.523374 0.676409 O\n0.877669 0.825018 0.100475 O\n0.305262 0.102697 0.529327 O\n0.742034 0.392088 0.955446 O\n0.600739 0.976992 0.830349 O\n",
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{
"id": "jvasp-117314",
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"structure_string": "Li7 Mn2 Co3 O12\n1.0\n4.728980 0.018558 -1.551593\n-0.406553 5.547622 -1.137425\n-0.094578 0.077562 7.480357\nLi Mn Co O\n7 2 3 12\ndirect\n0.506996 0.268264 0.005947 Li\n0.512666 0.424888 0.675888 Li\n0.502529 0.731421 0.001562 Li\n0.506219 0.913606 0.667372 Li\n0.488191 0.080972 0.329089 Li\n0.485619 0.580501 0.320560 Li\n-0.001914 0.501597 0.003059 Li\n0.001985 -0.002943 0.003595 Mn\n0.002703 0.173712 0.669343 Mn\n0.001426 0.667779 0.668980 Co\n0.997005 0.829657 0.329868 Co\n0.997421 0.334035 0.331032 Co\n0.227092 0.277870 0.165697 O\n0.778665 0.042522 0.171143 O\n0.773594 0.195155 0.829857 O\n0.769003 0.544094 0.183560 O\n0.771192 0.722287 0.834915 O\n0.782232 0.879051 0.506794 O\n0.780126 0.378169 0.509456 O\n0.232798 0.451333 0.815245 O\n0.210943 0.622857 0.489866 O\n0.223921 0.959707 0.828744 O\n0.220041 0.120746 0.493766 O\n0.229547 0.802713 0.164679 O\n",
"nsites": 24,
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],
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"formula_full": "Li7 Mn2 Co3 O12",
"formula_reduced": "Li7Mn2(CoO4)3",
"formula_anonymous": "A2B3C7D12",
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"spacegroup": 1
},
{
"id": "jvasp-117315",
"created_at": "2022-09-04T14:38:26.124061Z",
"updated_at": "2022-09-04T14:38:26.124081Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n2.843151 -0.000000 0.000000\n0.000000 4.981987 -0.018345\n-0.000000 -0.176919 13.988450\nLi Mn Co O\n7 2 3 12\ndirect\n-0.000000 0.668246 0.174895 Li\n0.500000 0.841932 0.325370 Li\n0.000000 0.001826 0.490493 Li\n0.500000 0.166045 0.664487 Li\n-0.000000 0.334030 0.836741 Li\n0.500000 0.494537 0.007201 Li\n0.500000 0.165262 0.172418 Li\n-0.000000 0.006874 0.004828 Mn\n-0.000000 0.666457 0.665480 Mn\n0.500000 0.500330 0.499951 Co\n0.500000 0.831897 0.832200 Co\n-0.000000 0.331011 0.330623 Co\n-0.000000 0.974443 0.751352 O\n0.000000 0.019323 0.257880 O\n0.500000 0.199440 0.415151 O\n-0.000000 0.357528 0.582205 O\n0.500000 0.519976 0.745262 O\n-0.000000 0.693833 0.908088 O\n0.500000 0.846137 0.072516 O\n-0.000000 0.310279 0.073112 O\n0.500000 0.484409 0.260722 O\n-0.000000 0.634730 0.424428 O\n0.500000 0.815059 0.587415 O\n0.500000 0.136401 0.917182 O\n",
"nsites": 24,
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"elements": [
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],
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"formula_full": "Li7 Mn2 Co3 O12",
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"formula_anonymous": "A2B3C7D12",
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{
"id": "jvasp-43333",
"created_at": "2022-09-04T14:36:05.340529Z",
"updated_at": "2022-09-04T14:36:05.340548Z",
"structure_string": "Li2 Mn3 Co1 O8\n1.0\n0.010826 4.057569 4.057569\n4.057569 0.010826 4.057569\n4.057569 4.057569 0.010826\nLi Mn Co O\n2 3 1 8\ndirect\n0.124773 0.124773 0.124773 Li\n0.875228 0.875228 0.875228 Li\n0.500000 0.000001 0.500000 Mn\n0.500000 0.500000 0.000001 Mn\n0.000001 0.500000 0.500000 Mn\n0.500000 0.500000 0.500000 Co\n0.261664 0.261664 0.261664 O\n0.710873 0.262242 0.262242 O\n0.262242 0.710873 0.262242 O\n0.262242 0.262242 0.710873 O\n0.737759 0.737759 0.289127 O\n0.737759 0.289127 0.737759 O\n0.289127 0.737759 0.737759 O\n0.738337 0.738337 0.738337 O\n",
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"volume": 133.0718339661655,
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"formula_full": "Li2 Mn3 Co1 O8",
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"formula_anonymous": "AB2C3D8",
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"spacegroup": 166
},
{
"id": "jvasp-43813",
"created_at": "2022-09-04T14:36:06.101019Z",
"updated_at": "2022-09-04T14:36:06.101037Z",
"structure_string": "Li2 Mn1 Co3 O8\n1.0\n5.701830 -0.000000 -0.031040\n-0.000000 5.676938 0.000000\n2.678009 2.838469 4.057675\nLi Mn Co O\n2 1 3 8\ndirect\n0.500000 0.500000 0.500001 Li\n0.500000 -0.000000 0.500001 Li\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 -0.000000 Co\n-0.000000 0.500000 0.500001 Co\n-0.000000 -0.000000 0.500001 Co\n0.206016 0.733582 0.030609 O\n0.206016 0.235810 0.030609 O\n0.206911 0.732021 0.535959 O\n0.213154 0.234117 0.531767 O\n0.786846 0.765883 0.468234 O\n0.793089 0.267979 0.464043 O\n0.793984 0.764190 0.969392 O\n0.793984 0.266418 0.969392 O\n",
"nsites": 14,
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"formula_full": "Li2 Mn1 Co3 O8",
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"formula_anonymous": "AB2C3D8",
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},
{
"id": "jvasp-46902",
"created_at": "2022-09-04T14:38:00.801996Z",
"updated_at": "2022-09-04T14:38:00.802008Z",
"structure_string": "Li2 Mn1 Co1 O4\n1.0\n0.000000 4.966649 -0.041093\n2.859224 0.000000 0.000000\n0.000000 -1.643165 -4.662832\nLi Mn Co O\n2 1 1 4\ndirect\n-0.000001 0.499999 0.500000 Li\n0.000000 0.000000 0.000000 Li\n0.500000 0.499999 -0.000000 Mn\n0.499999 0.000000 0.500000 Co\n0.725522 0.000000 0.241971 O\n0.722386 0.499999 0.745650 O\n0.277613 0.499999 0.254349 O\n0.274477 0.000000 0.758028 O\n",
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],
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"formula_full": "Li2 Mn1 Co1 O4",
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"formula_anonymous": "ABC2D4",
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"spacegroup": 10
},
{
"id": "jvasp-40663",
"created_at": "2022-09-04T14:37:56.984277Z",
"updated_at": "2022-09-04T14:37:56.984307Z",
"structure_string": "Li5 Mn2 Co3 O10\n1.0\n4.994936 -0.013288 0.037037\n0.828838 4.933557 0.011903\n2.438711 2.096201 6.894657\nLi Mn Co O\n5 2 3 10\ndirect\n0.499178 0.780330 0.408626 Li\n0.511944 0.588493 0.788049 Li\n0.000294 0.500832 0.499330 Li\n0.497873 0.215397 0.588707 Li\n0.498322 0.397354 0.213348 Li\n0.001513 0.900669 0.694533 Mn\n0.995010 0.104738 0.302349 Mn\n0.996461 0.306766 0.895853 Co\n0.013841 0.702620 0.105714 Co\n0.491039 0.986386 0.001062 Co\n0.223782 0.134792 0.454851 O\n0.226469 0.973632 0.843327 O\n0.772322 0.870197 0.542391 O\n0.767834 0.653275 0.930754 O\n0.247969 0.769188 0.254528 O\n0.224386 0.563677 0.666471 O\n0.765652 0.432751 0.343317 O\n0.764873 0.226779 0.762579 O\n0.227316 0.335443 0.052346 O\n0.770883 0.063476 0.141959 O\n",
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],
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"formula_full": "Li5 Mn2 Co3 O10",
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{
"id": "jvasp-47037",
"created_at": "2022-09-04T14:38:01.522805Z",
"updated_at": "2022-09-04T14:38:01.522823Z",
"structure_string": "Li5 Mn3 Co2 O10\n1.0\n5.046889 0.013629 -0.059781\n-0.810438 5.001416 0.030861\n-2.378097 -2.255345 6.851474\nLi Mn Co O\n5 3 2 10\ndirect\n0.093748 0.800212 0.583215 Li\n0.717455 0.617964 0.224888 Li\n0.499999 0.500000 0.500000 Li\n0.282543 0.382036 0.775112 Li\n0.906251 0.199788 0.416784 Li\n0.500000 0.000000 0.000000 Mn\n0.108721 0.311836 0.110560 Mn\n0.891278 0.688164 0.889439 Mn\n0.697814 0.099812 0.696697 Co\n0.302185 0.900188 0.303303 Co\n0.710702 0.328351 0.954542 O\n0.909161 0.930498 0.143785 O\n0.289297 0.671649 0.045457 O\n0.679700 0.870627 0.454179 O\n0.524299 0.768914 0.761513 O\n0.114683 0.559173 0.338273 O\n0.885316 0.440826 0.661726 O\n0.475700 0.231086 0.238487 O\n0.320299 0.129373 0.545821 O\n0.090838 0.069502 0.856215 O\n",
"nsites": 20,
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],
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"formula_full": "Li5 Mn3 Co2 O10",
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},
{
"id": "jvasp-40680",
"created_at": "2022-09-04T14:38:03.128680Z",
"updated_at": "2022-09-04T14:38:03.128698Z",
"structure_string": "Li4 Mn1 Co3 O8\n1.0\n5.708972 0.026613 -0.007556\n-0.026781 5.708552 -0.004276\n-2.835795 -2.864756 4.042966\nLi Mn Co O\n4 1 3 8\ndirect\n0.499999 0.499999 -0.000001 Li\n0.499999 0.499999 0.499999 Li\n-0.000000 0.500000 -0.000001 Li\n-0.000000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n0.500000 -0.000001 -0.000001 Co\n0.499999 -0.000001 0.500000 Co\n-0.000000 -0.000000 0.500000 Co\n0.759772 0.778595 0.018838 O\n0.759766 0.778583 0.519544 O\n0.740862 0.222576 0.481712 O\n0.259063 0.778595 0.018841 O\n0.740936 0.221403 0.981158 O\n0.259136 0.777422 0.518287 O\n0.240232 0.221415 0.480455 O\n0.240227 0.221403 0.981161 O\n",
"nsites": 16,
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],
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"formula_full": "Li4 Mn1 Co3 O8",
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"formula_anonymous": "AB3C4D8",
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"spacegroup": 166
},
{
"id": "jvasp-47039",
"created_at": "2022-09-04T14:38:01.678964Z",
"updated_at": "2022-09-04T14:38:01.678980Z",
"structure_string": "Li3 Mn3 Co1 O8\n1.0\n1.601850 -2.476174 -4.827265\n5.054827 1.492465 -2.402696\n-0.000000 -2.949130 4.827265\nLi Mn Co O\n3 3 1 8\ndirect\n0.000001 0.500000 0.000000 Li\n0.000001 0.500000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.000000 -0.000000 0.500000 Mn\n0.499999 0.000000 -0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Co\n0.256980 0.217347 0.237163 O\n0.257426 0.227724 0.742574 O\n0.762836 0.217347 0.237163 O\n0.762837 0.217347 0.743020 O\n0.237164 0.782653 0.256980 O\n0.237164 0.782653 0.762837 O\n0.742575 0.772276 0.257426 O\n0.743021 0.782653 0.762837 O\n",
"nsites": 15,
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"elements": [
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],
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"density": 4.666562995509324,
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"volume": 132.57286316050508,
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"formula_full": "Li3 Mn3 Co1 O8",
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"formula_anonymous": "AB3C3D8",
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"spacegroup": 166
},
{
"id": "jvasp-122015",
"created_at": "2022-09-04T14:38:51.341767Z",
"updated_at": "2022-09-04T14:38:51.341787Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n4.796481 -0.007593 1.060866\n1.444521 5.425153 1.146272\n0.011909 0.015362 7.551483\nLi Mn Co O\n7 2 3 12\ndirect\n0.004000 0.500249 0.004803 Li\n-0.002722 0.825759 0.651613 Li\n0.484240 0.339087 0.177760 Li\n0.505379 0.662893 0.825977 Li\n0.999022 0.177339 0.340785 Li\n0.504180 0.998871 0.499004 Li\n0.998738 0.661149 0.340651 Li\n0.999633 0.998480 0.001614 Mn\n0.499852 0.825473 0.175273 Mn\n0.500773 0.165892 0.833137 Co\n0.500294 0.501892 0.497988 Co\n0.000936 0.335816 0.663294 Co\n0.747749 0.996577 0.229928 O\n0.253422 0.692673 0.077589 O\n0.239919 0.019060 0.761210 O\n0.724841 0.516680 0.252297 O\n0.747405 0.849540 0.927109 O\n0.251128 0.339003 0.433004 O\n0.738817 0.189936 0.596123 O\n0.761023 0.312135 0.906381 O\n0.750110 0.644355 0.584763 O\n0.253404 0.148944 0.075343 O\n0.262710 0.474001 0.737735 O\n0.275146 0.824191 0.406618 O\n",
"nsites": 24,
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],
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"volume": 196.4552592231057,
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"formula_full": "Li7 Mn2 Co3 O12",
"formula_reduced": "Li7Mn2(CoO4)3",
"formula_anonymous": "A2B3C7D12",
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"spacegroup": 1
},
{
"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,
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"elements": [
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],
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"volume": 163.97309079626805,
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"formula_full": "Li6 Mn2 Co2 O10",
"formula_reduced": "Li3MnCoO5",
"formula_anonymous": "ABC3D5",
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}
]
}