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{
"id": "mp-1174939",
"created_at": "2022-09-04T14:39:45.065957Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n5.864337 0.000000 0.000000\n1.450896 6.332808 0.000000\n2.859232 1.457921 5.722343\nLi Mn Co O\n7 2 3 12\ndirect\n0.583259 0.329931 0.168459 Li\n0.743544 0.010618 0.503826 Li\n0.928123 0.658926 0.830462 Li\n0.085889 0.335177 0.160943 Li\n0.248918 0.008580 0.499608 Li\n0.412736 0.659050 0.831015 Li\n0.332092 0.334666 0.669021 Li\n0.005787 0.001407 0.995974 Mn\n0.162337 0.667010 0.338020 Mn\n0.501320 0.002660 0.995365 Co\n0.657869 0.650749 0.345274 Co\n0.834571 0.331386 0.672781 Co\n0.891992 0.001927 0.760201 O\n0.040880 0.681997 0.094670 O\n0.191498 0.356411 0.416977 O\n0.359513 0.998880 0.781526 O\n0.511382 0.684401 0.101925 O\n0.712415 0.349859 0.415028 O\n0.289639 0.674566 0.559081 O\n0.482221 0.312822 0.908829 O\n0.645968 0.985744 0.220777 O\n0.810152 0.664566 0.568322 O\n0.957090 0.312389 0.918462 O\n0.110805 0.986278 0.243454 O\n",
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{
"id": "mp-1175519",
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"structure_string": "Li9 Co7 O16\n1.0\n5.029758 0.000000 0.000000\n-0.018702 5.837808 0.000000\n-1.637893 -0.031684 9.650230\nLi Co O\n9 7 16\ndirect\n0.751154 0.753049 0.244140 Li\n0.748816 0.497441 0.752170 Li\n0.748429 0.244532 0.245014 Li\n0.251184 0.502559 0.247830 Li\n0.248846 0.246951 0.755860 Li\n0.257433 0.998687 0.245289 Li\n0.742567 0.001313 0.754711 Li\n0.251571 0.755468 0.754986 Li\n0.500000 0.000000 0.000000 Li\n0.998183 0.755546 0.999434 Co\n0.001817 0.244454 0.000566 Co\n0.000000 0.500000 0.500000 Co\n0.000000 0.000000 0.500000 Co\n0.503146 0.248423 0.501715 Co\n0.496854 0.751577 0.498285 Co\n0.500000 0.500000 0.000000 Co\n0.898626 0.006901 0.117651 O\n0.873989 0.730681 0.611822 O\n0.853904 0.506220 0.110316 O\n0.363985 0.728614 0.107842 O\n0.360988 0.511081 0.610150 O\n0.365302 0.272550 0.109054 O\n0.875773 0.230388 0.620046 O\n0.378619 0.009181 0.618201 O\n0.639012 0.488919 0.389850 O\n0.636015 0.271386 0.892158 O\n0.621381 0.990819 0.381799 O\n0.126011 0.269319 0.388178 O\n0.101374 0.993099 0.882349 O\n0.124227 0.769612 0.379954 O\n0.634698 0.727450 0.890946 O\n0.146096 0.493780 0.889684 O\n",
"nsites": 32,
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"elements": [
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"formula_full": "Li9 Co7 O16",
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},
{
"id": "mp-1207078",
"created_at": "2022-09-04T14:44:08.922931Z",
"structure_string": "Ca1 Ni1 H3\n1.0\n3.537694 0.000000 0.000000\n0.000000 3.537694 0.000000\n0.000000 0.000000 3.537694\nCa Ni H\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Ni\n0.500000 0.000000 0.000000 H\n0.000000 0.500000 0.000000 H\n0.000000 0.000000 0.500000 H\n",
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"formula_full": "Ca1 Ni1 H3",
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{
"id": "mp-1174884",
"created_at": "2022-09-04T14:43:39.918904Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n5.130767 0.000000 0.000000\n1.727222 5.608166 0.000000\n1.756475 1.034205 7.386069\nLi Mn Co O\n7 2 3 12\ndirect\n0.503669 0.162487 0.834407 Li\n0.499332 0.007468 0.489852 Li\n0.494975 0.844402 0.169043 Li\n0.500841 0.667945 0.832429 Li\n0.502305 0.493068 0.495610 Li\n0.499341 0.325596 0.177751 Li\n0.000797 0.167057 0.332308 Li\n0.004753 0.003013 0.002189 Mn\n0.999930 0.329126 0.662456 Mn\n0.001605 0.833362 0.661141 Co\n0.002481 0.673421 0.341460 Co\n0.992120 0.496162 0.017052 Co\n0.777511 0.317366 0.912829 O\n0.784663 0.154360 0.592822 O\n0.769552 0.993539 0.234724 O\n0.791791 0.840223 0.905373 O\n0.755428 0.635394 0.586427 O\n0.763571 0.513317 0.237890 O\n0.233549 0.022599 0.755833 O\n0.225969 0.823389 0.426490 O\n0.231774 0.685531 0.078064 O\n0.204076 0.508133 0.749085 O\n0.229535 0.339581 0.430709 O\n0.230431 0.163461 0.074057 O\n",
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"formula_full": "Li7 Mn2 Co3 O12",
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{
"id": "mp-831190",
"created_at": "2022-09-04T14:43:44.908168Z",
"structure_string": "Li4 V4 P4 H24 O30\n1.0\n2.530844 11.197748 0.000000\n-2.530844 11.197748 0.000000\n0.000000 2.077763 10.311538\nLi V P H O\n4 4 4 24 30\ndirect\n0.922022 0.600410 0.364276 Li\n0.399590 0.077978 0.135724 Li\n0.600410 0.922022 0.864276 Li\n0.077978 0.399590 0.635724 Li\n0.018150 0.732049 0.471460 V\n0.732049 0.018150 0.971460 V\n0.267951 0.981850 0.028540 V\n0.981850 0.267951 0.528540 V\n0.508130 0.176316 0.274079 P\n0.176316 0.508130 0.774079 P\n0.823684 0.491870 0.225921 P\n0.491870 0.823684 0.725921 P\n0.414294 0.541094 0.352800 H\n0.744098 0.179171 0.267886 H\n0.541094 0.414294 0.852800 H\n0.962348 0.851936 0.175051 H\n0.179171 0.744098 0.767886 H\n0.851936 0.962348 0.675051 H\n0.212505 0.581684 0.094815 H\n0.581684 0.212505 0.594815 H\n0.321816 0.121410 0.416061 H\n0.878590 0.678184 0.083939 H\n0.121410 0.321816 0.916061 H\n0.678184 0.878590 0.583939 H\n0.418316 0.787495 0.405185 H\n0.787495 0.418316 0.905185 H\n0.148064 0.037652 0.324949 H\n0.820829 0.255902 0.232114 H\n0.037652 0.148064 0.824949 H\n0.458906 0.585706 0.147200 H\n0.209035 0.793418 0.434232 H\n0.255902 0.820829 0.732114 H\n0.206582 0.790965 0.065768 H\n0.585706 0.458906 0.647200 H\n0.793418 0.209035 0.934232 H\n0.790965 0.206582 0.565768 H\n0.240179 0.688287 0.407792 O\n0.688287 0.240179 0.907792 O\n0.046302 0.785260 0.084553 O\n0.764632 0.011964 0.313988 O\n0.785260 0.046302 0.584553 O\n0.470476 0.266774 0.126333 O\n0.011964 0.764632 0.813988 O\n0.250227 0.436197 0.349471 O\n0.266774 0.470476 0.626333 O\n0.436197 0.250227 0.849471 O\n0.561117 0.995452 0.289345 O\n0.750396 0.835287 0.024487 O\n0.995452 0.561117 0.789345 O\n0.164713 0.249604 0.475513 O\n0.835287 0.750396 0.524487 O\n0.004548 0.438883 0.210655 O\n0.249604 0.164713 0.975513 O\n0.438883 0.004548 0.710655 O\n0.563803 0.749773 0.150529 O\n0.733226 0.529524 0.373667 O\n0.749773 0.563803 0.650529 O\n0.988036 0.235368 0.186012 O\n0.529524 0.733226 0.873667 O\n0.214740 0.953698 0.415447 O\n0.235368 0.988036 0.686012 O\n0.953698 0.214740 0.915447 O\n0.311713 0.759821 0.092208 O\n0.670992 0.329008 0.250000 O\n0.759821 0.311713 0.592208 O\n0.329008 0.670992 0.750000 O\n",
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"formula_full": "Li4 V4 P4 H24 O30",
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{
"id": "mp-1175521",
"created_at": "2022-09-04T14:44:14.352179Z",
"structure_string": "Li9 Co7 O16\n1.0\n5.892292 0.000000 0.000000\n2.771923 7.115554 0.000000\n2.894029 2.311292 6.758695\nLi Co O\n9 7 16\ndirect\n0.000000 0.500000 0.000000 Li\n0.865629 0.133450 0.125906 Li\n0.250007 0.248440 0.749415 Li\n0.134371 0.866550 0.874094 Li\n0.500000 0.000000 0.500000 Li\n0.379194 0.618678 0.628666 Li\n0.749993 0.751560 0.250585 Li\n0.620806 0.381322 0.371334 Li\n0.500000 0.500000 0.000000 Li\n0.624831 0.871244 0.879652 Co\n0.128724 0.376791 0.369190 Co\n0.375169 0.128756 0.120348 Co\n0.254338 0.742704 0.247977 Co\n0.000000 0.000000 0.500000 Co\n0.871276 0.623209 0.630810 Co\n0.745662 0.257296 0.752023 Co\n0.617279 0.650469 0.107109 O\n0.476699 0.240267 0.245875 O\n0.873521 0.372071 0.859839 O\n0.717353 0.005726 0.997669 O\n0.114485 0.130060 0.610816 O\n0.973655 0.760228 0.756275 O\n0.361620 0.891381 0.353776 O\n0.239566 0.505779 0.498960 O\n0.382721 0.349531 0.892891 O\n0.282647 0.994274 0.002331 O\n0.638380 0.108619 0.646224 O\n0.523301 0.759733 0.754125 O\n0.885515 0.869940 0.389184 O\n0.760434 0.494221 0.501040 O\n0.126479 0.627929 0.140161 O\n0.026345 0.239772 0.243725 O\n",
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"formula_full": "Li9 Co7 O16",
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{
"id": "mp-1175089",
"created_at": "2022-09-04T14:47:25.356422Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n8.790262 0.000000 0.000000\n0.000000 5.000045 0.000000\n0.000000 1.614535 4.835597\nLi Mn Co O\n7 2 3 12\ndirect\n0.005410 0.500000 0.500000 Li\n0.824821 0.000000 0.500000 Li\n0.648762 0.500000 0.500000 Li\n0.496551 0.000000 0.500000 Li\n0.173475 0.000000 0.500000 Li\n0.346711 0.500000 0.500000 Li\n0.501992 0.500000 0.000000 Li\n0.000295 0.000000 0.000000 Mn\n0.825697 0.500000 0.000000 Mn\n0.666141 0.000000 0.000000 Co\n0.345657 0.000000 0.000000 Co\n0.180568 0.500000 0.000000 Co\n0.992328 0.745574 0.782051 O\n0.835001 0.241183 0.782635 O\n0.679223 0.745423 0.778837 O\n0.509049 0.220099 0.770723 O\n0.154285 0.234140 0.770920 O\n0.322074 0.749995 0.763872 O\n0.992328 0.254426 0.217949 O\n0.835001 0.758817 0.217365 O\n0.679223 0.254577 0.221163 O\n0.509049 0.779901 0.229277 O\n0.154285 0.765860 0.229080 O\n0.322074 0.250005 0.236128 O\n",
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{
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{
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"structure_string": "Fe1 Co10 N8\n1.0\n7.231085 0.009169 0.143524\n1.075139 3.802980 0.000000\n1.611002 -0.455446 6.155318\nFe Co N\n1 10 8\ndirect\n0.000000 0.500000 0.500000 Fe\n0.447833 0.776083 0.827646 Co\n0.552167 0.223917 0.172354 Co\n0.087262 0.956369 0.798543 Co\n0.912738 0.043631 0.201457 Co\n0.646373 0.676813 0.437731 Co\n0.353627 0.323187 0.562269 Co\n0.803428 0.598286 0.992808 Co\n0.196572 0.401714 0.007192 Co\n0.730703 0.134649 0.678766 Co\n0.269297 0.865351 0.321234 Co\n0.205939 0.897031 0.049360 N\n0.794061 0.102969 0.950640 N\n0.357417 0.821291 0.578632 N\n0.642583 0.178709 0.421368 N\n0.726615 0.636693 0.710881 N\n0.273385 0.363307 0.289119 N\n0.084454 0.457773 0.762264 N\n0.915546 0.542227 0.237736 N\n",
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{
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{
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}
]
}