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{
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{
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"structure_string": "Li10 Co4 Ni6 O20\n1.0\n-1.012533 4.921373 -0.213509\n-6.709784 -2.935362 6.884670\n2.399284 2.396161 6.833218\nLi Co Ni O\n10 4 6 20\ndirect\n0.000377 0.001459 0.500445 Li\n0.500721 0.501085 0.001163 Li\n0.596033 0.099922 0.306835 Li\n0.097520 0.600087 0.806809 Li\n0.409909 0.903725 0.691944 Li\n0.910059 0.402712 0.191851 Li\n0.700230 0.198311 0.591160 Li\n0.200878 0.698518 0.089763 Li\n0.293303 0.796717 0.411312 Li\n0.793454 0.296773 0.911806 Li\n0.298882 0.296536 0.397809 Co\n0.797675 0.795691 0.897414 Co\n0.699423 0.704086 0.600012 Co\n0.200891 0.204077 0.100980 Co\n0.002759 0.501805 0.498164 Ni\n0.602118 0.600541 0.295115 Ni\n0.399617 0.399088 0.702190 Ni\n0.504314 0.001955 0.998403 Ni\n0.103101 0.100832 0.795414 Ni\n0.899127 0.898881 0.201704 Ni\n0.619888 0.395837 0.457592 O\n0.120469 0.895425 0.958165 O\n0.371759 0.605044 0.555635 O\n0.869732 0.104905 0.055334 O\n0.081166 0.306047 0.636497 O\n0.580934 0.805767 0.135705 O\n0.935785 0.698927 0.369434 O\n0.436476 0.199014 0.870128 O\n0.988621 0.209553 0.337776 O\n0.487308 0.709697 0.837568 O\n0.006703 0.789380 0.662442 O\n0.508626 0.290477 0.163230 O\n0.230442 0.008832 0.232078 O\n0.730635 0.509097 0.733204 O\n0.749108 0.984767 0.765892 O\n0.249044 0.484708 0.265851 O\n0.348662 0.117392 0.537396 O\n0.849205 0.617527 0.036937 O\n0.662868 0.883167 0.448460 O\n0.162176 0.381637 0.950381 O\n",
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"formula_full": "Li10 Co4 Ni6 O20",
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},
{
"id": "mp-1246237",
"created_at": "2022-09-04T14:40:15.702496Z",
"structure_string": "V2 Fe2 N4\n1.0\n2.829399 0.000000 0.000000\n-1.414700 2.450379 0.000000\n0.000000 0.000000 9.977650\nV Fe N\n2 2 4\ndirect\n0.333129 0.666256 0.250000 V\n0.666871 0.333744 0.750000 V\n0.000000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.666632 0.333266 0.126286 N\n0.333368 0.666734 0.873714 N\n0.333368 0.666734 0.626286 N\n0.666632 0.333266 0.373714 N\n",
"nsites": 8,
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"formula_full": "V2 Fe2 N4",
"formula_reduced": "VFeN2",
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},
{
"id": "mp-695936",
"created_at": "2022-09-04T14:47:08.051070Z",
"structure_string": "Ge2 H20 N8 F12\n1.0\n5.349708 0.000000 0.000000\n0.000000 6.078698 0.000000\n0.000000 3.979348 11.168278\nGe H N F\n2 20 8 12\ndirect\n0.000000 0.000000 0.000000 Ge\n0.500000 0.000000 0.500000 Ge\n0.022189 0.736248 0.830750 H\n0.477811 0.736248 0.330750 H\n0.977811 0.263752 0.169250 H\n0.522189 0.263752 0.669250 H\n0.975540 0.573378 0.739989 H\n0.524460 0.573378 0.239989 H\n0.024460 0.426622 0.260011 H\n0.475540 0.426622 0.760011 H\n0.845839 0.840021 0.706822 H\n0.654161 0.840021 0.206822 H\n0.154161 0.159979 0.293178 H\n0.345839 0.159979 0.793178 H\n0.591138 0.720892 0.869708 H\n0.908862 0.720892 0.369708 H\n0.408862 0.279108 0.130292 H\n0.091138 0.279108 0.630292 H\n0.722765 0.460762 0.916612 H\n0.777235 0.460762 0.416612 H\n0.277235 0.539238 0.083388 H\n0.222765 0.539238 0.583388 H\n0.891880 0.691299 0.777355 N\n0.608120 0.691299 0.277355 N\n0.108120 0.308701 0.222645 N\n0.391880 0.308701 0.722645 N\n0.665709 0.592269 0.841167 N\n0.834291 0.592269 0.341167 N\n0.334291 0.407731 0.158833 N\n0.165709 0.407731 0.658833 N\n0.853954 0.713814 0.056577 F\n0.646046 0.713814 0.556577 F\n0.146046 0.286186 0.943423 F\n0.353954 0.286186 0.443423 F\n0.200273 0.923475 0.131861 F\n0.299727 0.923475 0.631861 F\n0.799727 0.076525 0.868139 F\n0.700273 0.076525 0.368139 F\n0.766289 0.118678 0.082350 F\n0.733711 0.118678 0.582350 F\n0.233711 0.881322 0.917650 F\n0.266289 0.881322 0.417650 F\n",
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"formula_full": "Ge2 H20 N8 F12",
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},
{
"id": "mp-1176994",
"created_at": "2022-09-04T14:41:51.471367Z",
"structure_string": "Li14 V6 Si4 O24\n1.0\n4.295608 2.480287 0.018391\n-2.896402 3.292926 -9.734674\n-4.299422 7.447470 -0.000255\nLi V Si O\n14 6 4 24\ndirect\n0.125022 0.750000 0.958360 Li\n0.625022 0.749988 0.458374 Li\n0.256150 0.507410 0.579707 Li\n0.756158 0.507389 0.079689 Li\n0.493980 0.992649 0.837050 Li\n0.993948 0.992619 0.337097 Li\n0.503272 0.993240 0.173563 Li\n0.003278 0.993308 0.673524 Li\n0.246740 0.506782 0.243213 Li\n0.746703 0.506753 0.743242 Li\n0.246775 0.506749 0.916755 Li\n0.746817 0.506779 0.416782 Li\n0.003240 0.993277 0.999946 Li\n0.503263 0.993305 0.499979 Li\n0.875044 0.250116 0.708380 V\n0.874988 0.249984 0.374602 V\n0.874966 0.250072 0.042099 V\n0.375128 0.250055 0.208380 V\n0.374795 0.249942 0.874538 V\n0.375036 0.250151 0.542165 V\n0.124925 0.749970 0.291647 Si\n0.624940 0.749965 0.791647 Si\n0.625045 0.749959 0.125069 Si\n0.125041 0.749950 0.625067 Si\n0.268997 0.852670 0.406761 O\n0.768989 0.852666 0.906763 O\n0.481241 0.647154 0.009432 O\n0.981245 0.647162 0.509429 O\n0.193221 0.126520 0.770186 O\n0.693173 0.126482 0.270278 O\n0.056489 0.373317 0.146899 O\n0.556363 0.373371 0.646938 O\n0.919498 0.647548 0.196516 O\n0.419532 0.647541 0.696527 O\n0.330329 0.852302 0.094222 O\n0.830443 0.852252 0.594220 O\n0.419486 0.647527 0.322273 O\n0.919415 0.647499 0.822289 O\n0.330739 0.852404 0.720040 O\n0.830756 0.852413 0.220043 O\n0.056904 0.370083 0.481774 O\n0.556755 0.369860 0.981584 O\n0.193490 0.130105 0.434979 O\n0.693498 0.129953 0.934937 O\n0.192746 0.130226 0.101840 O\n0.692804 0.130245 0.601841 O\n0.556895 0.370094 0.314743 O\n0.056717 0.370195 0.814609 O\n",
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"formula_full": "Li14 V6 Si4 O24",
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{
"id": "mp-770622",
"created_at": "2022-09-04T14:41:53.175244Z",
"structure_string": "Li24 Mn11 Cr1 O36\n1.0\n12.965989 2.503155 0.000000\n-12.965989 2.503155 0.000000\n0.000000 1.604812 9.592202\nLi Mn Cr O\n24 11 1 36\ndirect\n0.720856 0.778550 0.249910 Li\n0.666354 0.830787 0.752328 Li\n0.221450 0.279144 0.750090 Li\n0.416364 0.583636 0.500000 Li\n0.606890 0.880910 0.251264 Li\n0.169213 0.333646 0.247672 Li\n0.916386 0.083614 0.000000 Li\n0.119090 0.393110 0.748736 Li\n0.546897 0.938056 0.750156 Li\n0.061944 0.453103 0.249844 Li\n0.504105 0.003182 0.251783 Li\n0.249620 0.750380 0.000000 Li\n0.996818 0.495895 0.748217 Li\n0.749974 0.250026 0.500000 Li\n0.950568 0.559081 0.249208 Li\n0.440919 0.049432 0.750792 Li\n0.890679 0.616715 0.748735 Li\n0.083840 0.916160 0.500000 Li\n0.383285 0.109321 0.251265 Li\n0.834433 0.668702 0.247299 Li\n0.583123 0.416877 0.000000 Li\n0.784259 0.724924 0.747698 Li\n0.331298 0.165567 0.752701 Li\n0.275076 0.215741 0.252302 Li\n0.472253 0.527747 0.000000 Mn\n0.972499 0.027501 0.500000 Mn\n0.360798 0.639202 0.000000 Mn\n0.305466 0.694534 0.500000 Mn\n0.805540 0.194460 0.000000 Mn\n0.194124 0.805876 0.500000 Mn\n0.138999 0.861001 0.000000 Mn\n0.694281 0.305719 0.000000 Mn\n0.638883 0.361117 0.500000 Mn\n0.027498 0.972502 0.000000 Mn\n0.527643 0.472357 0.500000 Mn\n0.860249 0.139751 0.500000 Cr\n0.834636 0.882565 0.887185 O\n0.617575 0.665205 0.612057 O\n0.117435 0.165364 0.112815 O\n0.814201 0.980508 0.385873 O\n0.334795 0.382425 0.387943 O\n0.523641 0.690722 0.113245 O\n0.309278 0.476359 0.886755 O\n0.493637 0.779942 0.612401 O\n0.019492 0.185799 0.614127 O\n0.450103 0.831674 0.112192 O\n0.998785 0.284914 0.112582 O\n0.220058 0.506363 0.387599 O\n0.168326 0.549897 0.887808 O\n0.715086 0.001215 0.887418 O\n0.953517 0.333537 0.611386 O\n0.355954 0.856354 0.614103 O\n0.143646 0.644046 0.385897 O\n0.666463 0.046483 0.388614 O\n0.335496 0.954494 0.111402 O\n0.855533 0.355614 0.113895 O\n0.644386 0.144467 0.886105 O\n0.045506 0.664504 0.888598 O\n0.284902 0.000147 0.611396 O\n0.832369 0.451567 0.611993 O\n0.788610 0.502558 0.111830 O\n0.999853 0.715098 0.388604 O\n0.548433 0.167631 0.388007 O\n0.980943 0.814316 0.885478 O\n0.497442 0.211390 0.888170 O\n0.691392 0.524645 0.612940 O\n0.475355 0.308608 0.387060 O\n0.667931 0.620574 0.111530 O\n0.185684 0.019057 0.114522 O\n0.882081 0.834485 0.387748 O\n0.379426 0.332069 0.888470 O\n0.165515 0.117919 0.612252 O\n",
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"formula_full": "Li24 Mn11 Cr1 O36",
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{
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"structure_string": "Be4 P4 H16 N4 O16\n1.0\n4.983527 0.000000 0.000000\n0.000000 8.702239 0.000000\n0.000000 0.000000 8.774212\nBe P H N O\n4 4 16 4 16\ndirect\n0.661054 0.593291 0.325850 Be\n0.161054 0.093291 0.174150 Be\n0.661054 0.906709 0.825850 Be\n0.161054 0.406709 0.674150 Be\n0.660931 0.585715 0.684501 P\n0.160931 0.414285 0.315499 P\n0.660931 0.914285 0.184501 P\n0.160931 0.085715 0.815499 P\n0.346203 0.720216 0.987567 H\n0.846203 0.279784 0.012433 H\n0.346203 0.779784 0.487567 H\n0.846203 0.220216 0.512433 H\n0.032543 0.710701 0.491967 H\n0.532543 0.289299 0.508033 H\n0.103929 0.634870 0.098568 H\n0.603929 0.365130 0.901432 H\n0.103929 0.865130 0.598568 H\n0.603929 0.134870 0.401432 H\n0.089824 0.624273 0.901219 H\n0.532543 0.210701 0.008033 H\n0.089824 0.875727 0.401219 H\n0.589824 0.124273 0.598781 H\n0.032543 0.789299 0.991967 H\n0.589824 0.375727 0.098781 H\n0.146478 0.690385 0.995689 N\n0.646478 0.309615 0.004311 N\n0.646478 0.190385 0.504311 N\n0.146478 0.809615 0.495689 N\n0.962060 0.956598 0.766879 O\n0.447068 0.463979 0.263546 O\n0.583499 0.763359 0.263240 O\n0.583499 0.736641 0.763240 O\n0.947068 0.963979 0.236454 O\n0.447068 0.036021 0.763546 O\n0.654710 0.609372 0.510818 O\n0.154710 0.390628 0.489182 O\n0.654710 0.890628 0.010818 O\n0.154710 0.109372 0.989182 O\n0.083499 0.263359 0.236760 O\n0.947068 0.536021 0.736454 O\n0.962060 0.543402 0.266879 O\n0.462060 0.043402 0.233121 O\n0.462060 0.456598 0.733121 O\n0.083499 0.236641 0.736760 O\n",
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{
"id": "mp-756569",
"created_at": "2022-09-04T14:48:18.892879Z",
"structure_string": "Li6 Cr2 O8\n1.0\n5.836646 0.000000 0.000000\n0.000000 4.953545 0.000000\n0.000000 1.737240 4.786039\nLi Cr O\n6 2 8\ndirect\n0.631905 0.250000 0.000000 Li\n0.368095 0.750000 0.000000 Li\n0.386150 0.250000 0.500000 Li\n0.879542 0.250000 0.500000 Li\n0.613850 0.750000 0.500000 Li\n0.120458 0.750000 0.500000 Li\n0.154858 0.250000 0.000000 Cr\n0.845142 0.750000 0.000000 Cr\n0.356188 0.025249 0.237209 O\n0.105532 0.489644 0.216206 O\n0.643812 0.525249 0.237209 O\n0.894468 0.989644 0.216206 O\n0.105532 0.010356 0.783794 O\n0.356188 0.474751 0.762791 O\n0.894468 0.510356 0.783794 O\n0.643812 0.974751 0.762791 O\n",
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{
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