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{
"id": "mp-777842",
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"structure_string": "Li32 Mn3 Cr13 O48\n1.0\n5.018309 0.000000 0.000000\n0.108729 8.748881 0.000000\n1.557201 2.652804 19.259309\nLi Mn Cr O\n32 3 13 48\ndirect\n0.006156 0.829863 0.250046 Li\n0.122742 0.623998 0.374947 Li\n0.248806 0.749564 0.000106 Li\n0.258444 0.079954 0.000126 Li\n0.009367 0.831941 0.749616 Li\n0.238230 0.419052 0.500042 Li\n0.125218 0.625022 0.874992 Li\n0.250785 0.750541 0.500282 Li\n0.259557 0.080737 0.499773 Li\n0.375654 0.875247 0.124959 Li\n0.240608 0.421334 0.999574 Li\n0.492852 0.668942 0.250308 Li\n0.375058 0.874836 0.624928 Li\n0.500934 0.000105 0.250092 Li\n0.510867 0.331092 0.249773 Li\n0.492293 0.670658 0.750047 Li\n0.625156 0.124793 0.375102 Li\n0.500214 0.000405 0.749934 Li\n0.752286 0.249500 0.999909 Li\n0.506557 0.328693 0.750082 Li\n0.759299 0.580254 0.000163 Li\n0.624311 0.123956 0.875027 Li\n0.742396 0.919211 0.499727 Li\n0.750172 0.250641 0.499689 Li\n0.876027 0.375611 0.124846 Li\n0.758212 0.580367 0.500370 Li\n0.990192 0.169918 0.250168 Li\n0.738730 0.919854 0.000170 Li\n0.874901 0.374550 0.625237 Li\n0.001161 0.499705 0.249918 Li\n0.991199 0.168195 0.750161 Li\n0.001373 0.500307 0.749991 Li\n0.124561 0.292006 0.875226 Mn\n0.625637 0.791715 0.374878 Mn\n0.876469 0.708716 0.624213 Mn\n0.131032 0.288045 0.374750 Cr\n0.117634 0.955547 0.375635 Cr\n0.123881 0.962864 0.874701 Cr\n0.368737 0.210706 0.124975 Cr\n0.381732 0.539631 0.125192 Cr\n0.366016 0.210362 0.625731 Cr\n0.385331 0.542162 0.624340 Cr\n0.620952 0.462263 0.374629 Cr\n0.617216 0.455529 0.875696 Cr\n0.631690 0.788553 0.874505 Cr\n0.881750 0.039808 0.125147 Cr\n0.868702 0.710567 0.124964 Cr\n0.874370 0.036975 0.625438 Cr\n0.033834 0.898034 0.068418 O\n0.078799 0.216536 0.068830 O\n0.072639 0.572753 0.068195 O\n0.036890 0.890675 0.569050 O\n0.171236 0.033410 0.181680 O\n0.177383 0.676829 0.181970 O\n0.077061 0.213528 0.569025 O\n0.070145 0.572104 0.567703 O\n0.214776 0.351943 0.181638 O\n0.282169 0.144063 0.318879 O\n0.169377 0.034642 0.681470 O\n0.176829 0.675977 0.681702 O\n0.330981 0.464802 0.318359 O\n0.323502 0.824072 0.318041 O\n0.216781 0.354253 0.681376 O\n0.287848 0.145197 0.819204 O\n0.534672 0.398134 0.068503 O\n0.419904 0.285848 0.431341 O\n0.431712 0.927476 0.432189 O\n0.317433 0.463166 0.818982 O\n0.326316 0.823051 0.817512 O\n0.572335 0.073255 0.067967 O\n0.578851 0.716677 0.068701 O\n0.465957 0.608004 0.430321 O\n0.530337 0.398345 0.568331 O\n0.427624 0.284681 0.931044 O\n0.422358 0.925826 0.932343 O\n0.676967 0.176938 0.182006 O\n0.671707 0.533157 0.181368 O\n0.576997 0.075384 0.568019 O\n0.574930 0.717482 0.568591 O\n0.468335 0.602531 0.931429 O\n0.715275 0.852770 0.181360 O\n0.789562 0.646516 0.318414 O\n0.674738 0.178247 0.682545 O\n0.679407 0.537238 0.680568 O\n0.824856 0.323699 0.317768 O\n0.817440 0.963662 0.319072 O\n0.713325 0.854842 0.680879 O\n0.782070 0.643539 0.819119 O\n0.924471 0.426717 0.432101 O\n0.927445 0.784444 0.430768 O\n0.823125 0.324344 0.818204 O\n0.830404 0.964458 0.818735 O\n0.968305 0.102160 0.431436 O\n0.932235 0.427504 0.932545 O\n0.921248 0.787043 0.931294 O\n0.963947 0.109745 0.930883 O\n",
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"formula_full": "Li32 Mn3 Cr13 O48",
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"energy": -665.99501989,
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"updated_at": "2021-11-28T01:36:45.195000Z",
"spacegroup": 1
},
{
"id": "mp-1174223",
"created_at": "2022-09-04T14:43:02.467229Z",
"structure_string": "Li7 Co5 O12\n1.0\n5.089574 0.000000 0.000000\n1.666186 5.529275 0.000000\n1.595241 1.055204 7.511751\nLi Co O\n7 5 12\ndirect\n0.497936 0.668992 0.838041 Li\n0.500239 0.838535 0.161122 Li\n0.502064 0.331008 0.161959 Li\n0.500000 0.500000 0.500000 Li\n0.500000 0.000000 0.500000 Li\n0.499761 0.161465 0.838878 Li\n0.000000 0.000000 0.000000 Li\n0.000288 0.834374 0.672053 Co\n0.000000 0.500000 0.000000 Co\n0.999712 0.165626 0.327947 Co\n0.998286 0.327922 0.674976 Co\n0.001714 0.672078 0.325024 Co\n0.779307 0.655612 0.584306 O\n0.776318 0.807812 0.914777 O\n0.781083 0.347387 0.914684 O\n0.772955 0.499221 0.232010 O\n0.769248 0.990775 0.262136 O\n0.764238 0.164977 0.581503 O\n0.218917 0.652613 0.085316 O\n0.235762 0.835023 0.418497 O\n0.220693 0.344388 0.415694 O\n0.227045 0.500779 0.767990 O\n0.230752 0.009225 0.737864 O\n0.223682 0.192188 0.085223 O\n",
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"density": 4.204472714597505,
"density_atomic": 0.11353256107874035,
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"formula_full": "Li7 Co5 O12",
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},
{
"id": "mp-733614",
"created_at": "2022-09-04T14:47:56.185567Z",
"structure_string": "H32 S4 N8 O24\n1.0\n7.411221 0.000000 0.000000\n0.000000 7.996581 0.000000\n0.000000 3.114891 10.106528\nH S N O\n32 4 8 24\ndirect\n0.423639 0.038593 0.824419 H\n0.923639 0.961407 0.675581 H\n0.576361 0.961407 0.175581 H\n0.076361 0.038593 0.324419 H\n0.541399 0.917515 0.739486 H\n0.041399 0.082485 0.760514 H\n0.458601 0.082485 0.260514 H\n0.958601 0.917515 0.239486 H\n0.497392 0.135269 0.668061 H\n0.997392 0.864731 0.831939 H\n0.502608 0.864731 0.331939 H\n0.002608 0.135269 0.168061 H\n0.698069 0.015081 0.902084 H\n0.198069 0.984919 0.597916 H\n0.301931 0.984919 0.097916 H\n0.801931 0.015081 0.402084 H\n0.692158 0.343007 0.374750 H\n0.192158 0.656993 0.125250 H\n0.307842 0.656993 0.625250 H\n0.807842 0.343007 0.874750 H\n0.736949 0.528548 0.414516 H\n0.236949 0.471452 0.085484 H\n0.263051 0.471452 0.585484 H\n0.763051 0.528548 0.914516 H\n0.911487 0.420018 0.363301 H\n0.411487 0.579982 0.136699 H\n0.088513 0.579982 0.636699 H\n0.588513 0.420018 0.863301 H\n0.819730 0.393917 0.597982 H\n0.319730 0.606083 0.902018 H\n0.180270 0.606083 0.402018 H\n0.680270 0.393917 0.097982 H\n0.692198 0.727099 0.586450 S\n0.192198 0.272901 0.913550 S\n0.307802 0.272901 0.413550 S\n0.807802 0.727099 0.086450 S\n0.527622 0.039359 0.757227 N\n0.027622 0.960641 0.742773 N\n0.472378 0.960641 0.242773 N\n0.972378 0.039359 0.257227 N\n0.789579 0.406695 0.414655 N\n0.289579 0.593305 0.085345 N\n0.210421 0.593305 0.585345 N\n0.710421 0.406695 0.914655 N\n0.624004 0.701711 0.460321 O\n0.124004 0.298289 0.039679 O\n0.375996 0.298289 0.539679 O\n0.875996 0.701711 0.960321 O\n0.823088 0.583604 0.649025 O\n0.323088 0.416396 0.850975 O\n0.176912 0.416396 0.350975 O\n0.676912 0.583604 0.149025 O\n0.540520 0.724880 0.678895 O\n0.040520 0.275120 0.821105 O\n0.459480 0.275120 0.321105 O\n0.959480 0.724880 0.178895 O\n0.785713 0.901825 0.555881 O\n0.285713 0.098175 0.944119 O\n0.214287 0.098175 0.444119 O\n0.714287 0.901825 0.055881 O\n0.690508 0.090095 0.805961 O\n0.190508 0.909905 0.694039 O\n0.309492 0.909905 0.194039 O\n0.809492 0.090095 0.305961 O\n0.822591 0.305635 0.547473 O\n0.322591 0.694365 0.952527 O\n0.177409 0.694365 0.452527 O\n0.677409 0.305635 0.047473 O\n",
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],
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"formula_full": "H32 S4 N8 O24",
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},
{
"id": "mp-1174943",
"created_at": "2022-09-04T14:43:10.587846Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n5.893785 0.000000 0.000000\n-0.216284 5.904064 0.000000\n-1.451264 -1.519288 6.075483\nLi Mn Co O\n7 2 3 12\ndirect\n0.994312 0.502404 0.005127 Li\n0.335677 0.830695 0.335579 Li\n0.154001 0.175193 0.659251 Li\n0.509911 0.491865 0.001352 Li\n0.673550 0.168391 0.658908 Li\n0.834196 0.833913 0.338466 Li\n0.831433 0.336006 0.334752 Li\n0.993790 0.007619 0.998637 Mn\n0.332878 0.333976 0.336489 Mn\n0.673676 0.661482 0.667074 Co\n0.501004 0.000352 0.001465 Co\n0.165112 0.664329 0.664835 Co\n0.767235 0.757320 0.992950 O\n0.089343 0.088457 0.314834 O\n0.916618 0.456112 0.667246 O\n0.236859 0.784275 0.984747 O\n0.418596 0.397833 0.651093 O\n0.556298 0.096239 0.310843 O\n0.231613 0.253974 0.015243 O\n0.571675 0.571239 0.344077 O\n0.431927 0.875985 0.685806 O\n0.749967 0.214864 0.996653 O\n0.920067 0.929619 0.680507 O\n0.110264 0.567857 0.354067 O\n",
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],
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"formula_full": "Li7 Mn2 Co3 O12",
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{
"id": "mp-1246348",
"created_at": "2022-09-04T14:42:18.662277Z",
"structure_string": "Fe3 Co8 N8\n1.0\n7.314077 -0.033751 0.200159\n1.064951 3.766946 0.000000\n1.691487 -0.478200 6.116982\nFe Co N\n3 8 8\ndirect\n0.000000 0.500000 0.500000 Fe\n0.440995 0.779502 0.827557 Fe\n0.559005 0.220498 0.172443 Fe\n0.052012 0.973994 0.781864 Co\n0.947988 0.026006 0.218136 Co\n0.649863 0.675069 0.435636 Co\n0.350137 0.324931 0.564364 Co\n0.806248 0.596876 0.986006 Co\n0.193752 0.403124 0.013994 Co\n0.709081 0.145460 0.683903 Co\n0.290919 0.854540 0.316097 Co\n0.215538 0.892232 0.057448 N\n0.784462 0.107768 0.942552 N\n0.359405 0.820298 0.587872 N\n0.640595 0.179702 0.412128 N\n0.718195 0.640903 0.714970 N\n0.281805 0.359097 0.285030 N\n0.087074 0.456463 0.764160 N\n0.912926 0.543537 0.235840 N\n",
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"spacegroup": 12
},
{
"id": "mp-778359",
"created_at": "2022-09-04T14:44:28.303469Z",
"structure_string": "Li32 Mn3 Cr13 O48\n1.0\n-5.037115 0.000000 0.000000\n-0.070579 -8.720307 0.000000\n1.650840 2.685194 19.253349\nLi Mn Cr O\n32 3 13 48\ndirect\n0.989635 0.169643 0.250034 Li\n0.875114 0.375030 0.375085 Li\n0.750959 0.250031 0.000069 Li\n0.743809 0.920953 0.999761 Li\n0.992098 0.168964 0.749543 Li\n0.760719 0.579437 0.499643 Li\n0.874264 0.375143 0.874911 Li\n0.752591 0.249699 0.500245 Li\n0.741979 0.920799 0.499515 Li\n0.626822 0.126463 0.124698 Li\n0.759526 0.579398 0.999769 Li\n0.512295 0.331578 0.250196 Li\n0.624591 0.125787 0.624742 Li\n0.501925 0.000132 0.250652 Li\n0.489604 0.668293 0.249338 Li\n0.507593 0.329644 0.749689 Li\n0.374771 0.874081 0.374955 Li\n0.503495 0.001505 0.750563 Li\n0.252776 0.749115 0.999471 Li\n0.489881 0.669126 0.749822 Li\n0.239294 0.420878 0.000218 Li\n0.374846 0.873954 0.874876 Li\n0.254403 0.080540 0.500347 Li\n0.253444 0.749400 0.499605 Li\n0.123244 0.623398 0.125166 Li\n0.240519 0.419873 0.500441 Li\n0.007951 0.830525 0.250599 Li\n0.253617 0.078971 0.999959 Li\n0.122693 0.623280 0.625233 Li\n0.999461 0.500525 0.249576 Li\n0.007184 0.830533 0.750761 Li\n0.998379 0.500983 0.749229 Li\n0.874618 0.042087 0.374525 Mn\n0.873585 0.041649 0.874227 Mn\n0.123647 0.290059 0.624359 Mn\n0.874518 0.712319 0.375293 Cr\n0.876408 0.712101 0.875356 Cr\n0.628384 0.797414 0.125947 Cr\n0.619563 0.461678 0.125345 Cr\n0.630939 0.797006 0.626439 Cr\n0.616906 0.458236 0.624508 Cr\n0.380863 0.538492 0.375595 Cr\n0.368477 0.205266 0.374625 Cr\n0.382732 0.539155 0.875777 Cr\n0.366104 0.206127 0.874625 Cr\n0.122082 0.952369 0.124104 Cr\n0.130197 0.288131 0.124716 Cr\n0.127106 0.953931 0.625108 Cr\n0.963473 0.102384 0.068692 O\n0.936680 0.787406 0.068746 O\n0.926199 0.426826 0.067972 O\n0.963413 0.107580 0.569554 O\n0.813516 0.962839 0.181283 O\n0.823955 0.323754 0.182107 O\n0.937443 0.790523 0.568919 O\n0.930061 0.427566 0.567726 O\n0.785846 0.647880 0.181406 O\n0.712456 0.859404 0.319153 O\n0.814638 0.962693 0.681567 O\n0.823309 0.324198 0.681654 O\n0.670941 0.537173 0.319114 O\n0.681081 0.178040 0.317725 O\n0.783317 0.645647 0.681491 O\n0.711666 0.859310 0.819182 O\n0.468209 0.606037 0.069620 O\n0.581335 0.714570 0.431397 O\n0.573935 0.073500 0.431614 O\n0.671603 0.537459 0.819028 O\n0.680521 0.178364 0.817965 O\n0.433761 0.923276 0.067180 O\n0.418465 0.284407 0.068536 O\n0.532506 0.392857 0.431301 O\n0.471303 0.605780 0.569480 O\n0.579985 0.715084 0.931447 O\n0.573650 0.073692 0.931632 O\n0.316276 0.826708 0.182856 O\n0.330682 0.465898 0.181436 O\n0.434764 0.922707 0.567271 O\n0.424295 0.283480 0.568741 O\n0.532174 0.394660 0.931550 O\n0.281752 0.143702 0.180443 O\n0.219270 0.353216 0.318721 O\n0.317189 0.826615 0.683102 O\n0.320745 0.462866 0.680568 O\n0.171069 0.676518 0.317971 O\n0.175647 0.034568 0.318816 O\n0.285197 0.142937 0.680538 O\n0.219406 0.352635 0.818904 O\n0.078549 0.573262 0.432431 O\n0.068122 0.213556 0.430385 O\n0.171654 0.675481 0.817959 O\n0.174566 0.033483 0.818837 O\n0.037335 0.895592 0.430994 O\n0.076662 0.572400 0.932394 O\n0.069364 0.213155 0.930461 O\n0.036403 0.894610 0.930869 O\n",
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