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{
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"structure_string": "Na3 Mn2 P2 C2 O14\n1.0\n5.186673 0.000000 0.000000\n-0.043277 6.583043 0.000000\n-0.225980 -0.179579 8.919577\nNa Mn P C O\n3 2 2 2 14\ndirect\n0.241219 0.480697 0.756828 Na\n0.756740 0.507210 0.241549 Na\n0.753801 0.989726 0.239028 Na\n0.788686 0.762627 0.656827 Mn\n0.217604 0.249777 0.349752 Mn\n0.711889 0.253291 0.576732 P\n0.286462 0.750415 0.427786 P\n0.731205 0.747875 0.925432 C\n0.268323 0.247337 0.075094 C\n0.288861 0.253246 0.938242 O\n0.955851 0.753868 0.861063 O\n0.539429 0.749966 0.826391 O\n0.777591 0.067246 0.670115 O\n0.786727 0.443224 0.673451 O\n0.416507 0.263658 0.536273 O\n0.141173 0.744098 0.575740 O\n0.854605 0.251121 0.424516 O\n0.585377 0.751536 0.462653 O\n0.218846 0.563023 0.325618 O\n0.215276 0.936708 0.332495 O\n0.464949 0.245433 0.173571 O\n0.046401 0.244093 0.146072 O\n0.703900 0.741722 0.063914 O\n",
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{
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"structure_string": "Li8 V6 P16 O58\n1.0\n9.800988 0.000000 0.000000\n4.888904 8.505060 0.000000\n0.048905 0.022754 14.077573\nLi V P O\n8 6 16 58\ndirect\n0.774751 0.913177 0.558893 Li\n0.914160 0.775686 0.058597 Li\n0.770233 0.324989 0.061087 Li\n0.093612 0.680200 0.443838 Li\n0.904778 0.320191 0.558565 Li\n0.096777 0.223345 0.941435 Li\n0.228819 0.088448 0.438240 Li\n0.680501 0.092044 0.942105 Li\n0.999068 0.567831 0.247802 V\n0.999275 0.433213 0.751784 V\n0.430547 0.569905 0.748887 V\n0.561174 0.434581 0.253224 V\n0.432616 0.996862 0.248318 V\n0.562596 0.000372 0.749887 V\n0.313628 0.912172 0.839640 P\n0.313740 0.769637 0.341826 P\n0.768195 0.911877 0.341732 P\n0.666828 0.663524 0.128752 P\n0.666408 0.666358 0.629029 P\n0.909426 0.769683 0.841902 P\n0.088751 0.679717 0.660777 P\n0.765965 0.319515 0.842815 P\n0.231361 0.686365 0.155040 P\n0.909152 0.319795 0.339741 P\n0.089754 0.229142 0.159442 P\n0.328740 0.334592 0.371006 P\n0.335692 0.332749 0.870757 P\n0.228868 0.088256 0.656484 P\n0.683230 0.231057 0.659224 P\n0.679960 0.089564 0.160145 P\n0.241721 0.010335 0.564245 O\n0.335743 0.914659 0.340464 O\n0.233842 0.762828 0.066008 O\n0.343099 0.742917 0.834517 O\n0.475465 0.906041 0.821564 O\n0.522436 0.806566 0.172529 O\n0.616437 0.905128 0.323172 O\n0.761013 0.002955 0.070596 O\n0.741247 0.918844 0.835389 O\n0.519099 0.666437 0.674921 O\n0.476875 0.617425 0.322439 O\n0.666856 0.818509 0.671021 O\n0.684626 0.656376 0.023497 O\n0.665099 0.673138 0.523476 O\n0.820259 0.665441 0.171585 O\n0.617011 0.478535 0.823140 O\n0.672565 0.509836 0.169253 O\n0.916096 0.742553 0.335715 O\n0.998035 0.790681 0.750750 O\n0.002332 0.759259 0.571304 O\n0.986307 0.767623 0.932690 O\n0.898873 0.620079 0.823080 O\n0.813642 0.514966 0.668095 O\n0.085534 0.659303 0.163196 O\n0.903579 0.478647 0.321074 O\n0.742040 0.343951 0.334867 O\n0.209696 0.790351 0.248690 O\n0.235040 0.755216 0.428198 O\n0.770742 0.235104 0.574182 O\n0.255502 0.659642 0.666599 O\n0.099354 0.519874 0.676597 O\n0.914884 0.336331 0.841457 O\n0.180206 0.487494 0.327999 O\n0.096762 0.381913 0.178060 O\n0.000801 0.244072 0.069933 O\n0.996717 0.245018 0.429483 O\n0.999174 0.208915 0.249831 O\n0.082545 0.255107 0.662740 O\n0.337875 0.477460 0.823971 O\n0.383697 0.525159 0.177232 O\n0.187574 0.327205 0.833975 O\n0.347683 0.325961 0.976179 O\n0.325701 0.346674 0.476344 O\n0.326261 0.186301 0.334127 O\n0.524240 0.383668 0.675786 O\n0.477340 0.335973 0.324668 O\n0.255739 0.086781 0.163997 O\n0.210923 0.994683 0.744841 O\n0.232913 0.004649 0.925173 O\n0.380346 0.098136 0.679389 O\n0.488637 0.180766 0.828285 O\n0.519987 0.103299 0.176925 O\n0.664649 0.255394 0.162724 O\n0.754587 0.244583 0.933704 O\n0.786209 0.206620 0.754918 O\n0.659098 0.085370 0.661020 O\n0.767432 0.987767 0.432850 O\n0.790981 0.999370 0.250558 O\n",
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"formula_full": "Li8 V6 P16 O58",
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},
{
"id": "mp-776417",
"created_at": "2022-09-04T14:40:13.456718Z",
"structure_string": "Li1 V6 O7 F5\n1.0\n4.940602 0.000000 0.000000\n0.450679 5.655687 0.000000\n0.337164 0.741111 7.776815\nLi V O F\n1 6 7 5\ndirect\n0.500677 0.785904 0.216937 Li\n0.003660 0.007705 0.997781 V\n0.447835 0.456702 0.979539 V\n0.560716 0.210031 0.340376 V\n0.505977 0.818616 0.675621 V\n0.982650 0.340827 0.674828 V\n0.996828 0.653960 0.341294 V\n0.173524 0.284936 0.892550 O\n0.326371 0.485938 0.238339 O\n0.309696 0.793482 0.906078 O\n0.686260 0.189676 0.093239 O\n0.679798 0.520969 0.760556 O\n0.676129 0.871712 0.426012 O\n0.836295 0.372460 0.436695 O\n0.178177 0.969266 0.240530 F\n0.188749 0.639030 0.576036 F\n0.313400 0.141717 0.574457 F\n0.808363 0.021928 0.761726 F\n0.822066 0.697173 0.102018 F\n",
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"formula_full": "Li1 V6 O7 F5",
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{
"id": "mp-938238",
"created_at": "2022-09-04T14:40:13.371117Z",
"structure_string": "Mg3 Mo12 Se16\n1.0\n13.868241 0.000000 0.000000\n-0.524370 6.971956 0.000000\n-0.635547 -0.426972 6.907472\nMg Mo Se\n3 12 16\ndirect\n0.047686 0.319898 0.956360 Mg\n0.951436 0.678540 0.044590 Mg\n0.594177 0.989547 0.026311 Mg\n0.416631 0.120534 0.542990 Mo\n0.762213 0.230984 0.580024 Mo\n0.548277 0.208350 0.243069 Mo\n0.452399 0.294157 0.755001 Mo\n0.243136 0.271299 0.412158 Mo\n0.587857 0.382143 0.454215 Mo\n0.412130 0.618007 0.545890 Mo\n0.753913 0.727325 0.585066 Mo\n0.545117 0.706148 0.241842 Mo\n0.452455 0.792061 0.760459 Mo\n0.241801 0.770624 0.423001 Mo\n0.582896 0.879348 0.456384 Mo\n0.725728 0.064131 0.378286 Se\n0.629638 0.149000 0.869493 Se\n0.218710 0.103816 0.219299 Se\n0.119798 0.179941 0.711133 Se\n0.878740 0.317421 0.282099 Se\n0.776889 0.402168 0.782956 Se\n0.390798 0.362549 0.126739 Se\n0.274878 0.433014 0.624618 Se\n0.721496 0.566483 0.370648 Se\n0.607684 0.637048 0.873822 Se\n0.223614 0.597539 0.217242 Se\n0.121978 0.682730 0.719146 Se\n0.879670 0.819228 0.287588 Se\n0.792711 0.897098 0.775045 Se\n0.362239 0.852217 0.127318 Se\n0.285305 0.935654 0.632206 Se\n",
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{
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"structure_string": "Li8 V6 P16 O58\n1.0\n9.748577 0.000000 0.000000\n-4.866595 -8.484304 0.000000\n-0.039815 0.020092 -14.251969\nLi V P O\n8 6 16 58\ndirect\n0.904280 0.665025 0.442867 Li\n0.330098 0.238047 0.439627 Li\n0.327962 0.094706 0.940629 Li\n0.902194 0.231019 0.941073 Li\n0.765477 0.094278 0.438363 Li\n0.335937 0.667350 0.896938 Li\n0.968298 0.942177 0.996157 Li\n0.000550 0.004197 0.502355 Li\n0.433316 0.002092 0.748151 V\n0.564543 0.000570 0.252340 V\n0.999186 0.563601 0.247968 V\n0.001410 0.434256 0.748125 V\n0.570739 0.567769 0.750740 V\n0.438182 0.438053 0.246092 V\n0.777965 0.695887 0.157636 P\n0.917446 0.691833 0.658889 P\n0.310571 0.228594 0.656087 P\n0.666420 0.331779 0.870173 P\n0.668629 0.337152 0.369409 P\n0.312079 0.086542 0.155379 P\n0.219317 0.916570 0.336815 P\n0.911318 0.224986 0.156739 P\n0.088360 0.779471 0.841836 P\n0.774919 0.085669 0.656084 P\n0.692720 0.912065 0.836830 P\n0.335148 0.666503 0.633489 P\n0.333990 0.667654 0.133823 P\n0.693505 0.776889 0.342035 P\n0.087039 0.306406 0.336954 P\n0.221901 0.309632 0.838313 P\n0.793543 0.784727 0.423637 O\n0.744965 0.659222 0.671673 O\n0.998974 0.790007 0.921977 O\n0.912811 0.655003 0.171066 O\n0.618008 0.537570 0.170698 O\n0.658200 0.474196 0.822922 O\n0.466889 0.384822 0.673639 O\n0.215495 0.206469 0.916266 O\n0.342636 0.258560 0.172728 O\n0.816853 0.488678 0.327566 O\n0.915923 0.533464 0.675964 O\n0.517563 0.330829 0.323981 O\n0.671886 0.335146 0.974186 O\n0.667865 0.350081 0.473707 O\n0.516366 0.182313 0.832508 O\n0.908153 0.381600 0.175783 O\n0.817224 0.335425 0.827032 O\n0.341112 0.089369 0.672181 O\n0.192654 0.983562 0.238441 O\n0.205210 0.008726 0.416037 O\n0.232195 0.024047 0.063690 O\n0.467886 0.088925 0.171085 O\n0.675587 0.189270 0.335585 O\n0.262401 0.917542 0.841311 O\n0.621620 0.088079 0.671000 O\n0.917500 0.256588 0.674222 O\n0.015484 0.803681 0.743929 O\n0.983289 0.767621 0.567073 O\n0.994870 0.200703 0.415926 O\n0.084132 0.740922 0.338851 O\n0.380379 0.922773 0.328719 O\n0.743435 0.086801 0.174316 O\n0.333177 0.810310 0.676316 O\n0.530666 0.905110 0.829815 O\n0.797838 0.004953 0.916027 O\n0.795375 0.026293 0.563839 O\n0.787864 0.981324 0.739145 O\n0.657215 0.913578 0.342971 O\n0.181869 0.661594 0.178369 O\n0.095761 0.624129 0.830960 O\n0.477448 0.811087 0.176115 O\n0.325637 0.659657 0.029529 O\n0.329777 0.653521 0.530295 O\n0.480304 0.662835 0.681016 O\n0.079253 0.460724 0.327465 O\n0.185315 0.519223 0.682314 O\n0.655958 0.737519 0.837013 O\n0.794833 0.802071 0.247386 O\n0.793487 0.784563 0.071224 O\n0.538207 0.617110 0.327293 O\n0.332953 0.518471 0.178097 O\n0.374715 0.473387 0.830258 O\n0.080913 0.343457 0.842593 O\n0.976535 0.221091 0.063833 O\n0.019242 0.213932 0.238393 O\n0.262236 0.345925 0.339208 O\n0.232015 0.213286 0.563808 O\n0.194775 0.217572 0.739471 O\n",
"nsites": 88,
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"elements": [
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{
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"structure_string": "Li8 Co4 P8 O28\n1.0\n-6.531046 0.000000 0.000000\n2.633726 8.834374 0.000000\n-0.406699 -4.268321 -9.480995\nLi Co P O\n8 4 8 28\ndirect\n0.354137 0.926016 0.379105 Li\n0.047500 0.205825 0.511876 Li\n0.166640 0.484925 0.035330 Li\n0.592058 0.509508 0.970412 Li\n0.172622 0.112507 0.132768 Li\n0.640879 0.074616 0.620619 Li\n0.935454 0.826781 0.503086 Li\n0.870343 0.892471 0.894226 Li\n0.625896 0.488887 0.251204 Co\n0.363488 0.503740 0.739184 Co\n0.286861 0.894651 0.778874 Co\n0.719624 0.097633 0.216447 Co\n0.874130 0.545020 0.697811 P\n0.312831 0.802007 0.052465 P\n0.561555 0.290788 0.461917 P\n0.080429 0.180193 0.794222 P\n0.693945 0.189211 0.945905 P\n0.923993 0.808476 0.199566 P\n0.433206 0.705041 0.532067 P\n0.114621 0.442175 0.298068 P\n0.693260 0.528574 0.794546 O\n0.613419 0.332397 0.039564 O\n0.284019 0.322266 0.819006 O\n0.024061 0.263006 0.287263 O\n0.448920 0.910091 0.193480 O\n0.084767 0.709240 0.096320 O\n0.962103 0.091510 0.645442 O\n0.738312 0.080362 0.013939 O\n0.907313 0.932031 0.138611 O\n0.974895 0.727333 0.721331 O\n0.237845 0.541018 0.454978 O\n0.544312 0.275221 0.307735 O\n0.360586 0.310005 0.537921 O\n0.561614 0.082207 0.803468 O\n0.106470 0.056793 0.851649 O\n0.384454 0.652038 0.958782 O\n0.927377 0.280030 0.905071 O\n0.755093 0.456764 0.538198 O\n0.369266 0.856899 0.538524 O\n0.287325 0.451548 0.193610 O\n0.715463 0.670729 0.173578 O\n0.950321 0.526104 0.291072 O\n0.632715 0.685348 0.454277 O\n0.035858 0.897237 0.349507 O\n0.446734 0.713847 0.684142 O\n0.268719 0.908859 0.983017 O\n0.034245 0.451802 0.694224 O\n0.629177 0.142075 0.460353 O\n",
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{
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{
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{
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"structure_string": "Li12 Mn3 V5 P12 O48\n1.0\n8.652246 0.000000 0.000000\n0.004415 8.688005 0.000000\n0.054632 0.380699 12.396793\nLi Mn V P O\n12 3 5 12 48\ndirect\n0.919059 0.077057 0.302926 Li\n0.302352 0.084674 0.239954 Li\n0.217416 0.207773 0.825146 Li\n0.719094 0.291267 0.674071 Li\n0.805350 0.416137 0.261616 Li\n0.416413 0.425378 0.197844 Li\n0.580974 0.577217 0.801508 Li\n0.195990 0.585845 0.737649 Li\n0.281998 0.707709 0.326300 Li\n0.782859 0.791953 0.174660 Li\n0.695578 0.912752 0.760989 Li\n0.081041 0.922163 0.697943 Li\n0.965673 0.253023 0.103922 Mn\n0.034454 0.747146 0.896255 Mn\n0.534533 0.752809 0.603424 Mn\n0.469119 0.248620 0.392156 V\n0.539026 0.246787 0.889862 V\n0.039577 0.252302 0.609727 V\n0.961854 0.747071 0.390108 V\n0.460507 0.753151 0.110397 V\n0.752817 0.037122 0.507258 P\n0.617423 0.104757 0.147025 P\n0.896568 0.101717 0.849031 P\n0.397102 0.396254 0.648433 P\n0.115903 0.396079 0.354975 P\n0.251060 0.461687 0.993081 P\n0.749076 0.538752 0.006436 P\n0.882719 0.603799 0.644399 P\n0.603903 0.604122 0.347912 P\n0.103320 0.898501 0.151080 P\n0.382061 0.895454 0.856217 P\n0.249250 0.960945 0.493300 P\n0.132900 0.045742 0.565687 O\n0.115752 0.078694 0.148078 O\n0.319251 0.068258 0.403688 O\n0.401058 0.070390 0.833163 O\n0.633792 0.107243 0.428965 O\n0.788551 0.143293 0.179028 O\n0.589152 0.148304 0.028108 O\n0.016919 0.141312 0.757119 O\n0.732359 0.157548 0.812919 O\n0.831013 0.170012 0.567458 O\n0.952471 0.170954 0.951570 O\n0.500705 0.195431 0.217756 O\n0.997019 0.303851 0.289773 O\n0.450865 0.328159 0.544103 O\n0.330911 0.329590 0.932324 O\n0.233956 0.340352 0.686968 O\n0.092917 0.355926 0.475245 O\n0.285785 0.357285 0.319867 O\n0.517948 0.356078 0.739580 O\n0.131850 0.393688 0.073864 O\n0.818914 0.432057 0.097097 O\n0.615402 0.424551 0.350723 O\n0.902074 0.428751 0.667546 O\n0.633972 0.453929 0.934156 O\n0.366500 0.546677 0.064846 O\n0.096989 0.571208 0.332006 O\n0.385096 0.576402 0.646550 O\n0.181096 0.567842 0.902332 O\n0.869359 0.606093 0.925933 O\n0.482421 0.641632 0.256613 O\n0.711679 0.642980 0.678799 O\n0.905743 0.643732 0.524414 O\n0.767306 0.659249 0.310534 O\n0.669968 0.671422 0.066661 O\n0.546541 0.672835 0.450566 O\n0.001205 0.695740 0.710344 O\n0.500278 0.803058 0.789926 O\n0.047535 0.829048 0.048374 O\n0.171037 0.827583 0.434001 O\n0.266810 0.842698 0.188206 O\n0.982823 0.859429 0.242881 O\n0.405678 0.855661 0.976164 O\n0.211045 0.856492 0.822389 O\n0.368669 0.894482 0.574572 O\n0.597540 0.929705 0.168537 O\n0.681964 0.930524 0.598022 O\n0.884141 0.921620 0.851462 O\n0.868969 0.952460 0.435480 O\n",
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{
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{
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"structure_string": "Mn12 O14 F10\n1.0\n4.571702 0.000000 0.000000\n-0.038016 5.639856 0.000000\n-0.083073 -0.032076 15.330515\nMn O F\n12 14 10\ndirect\n0.977473 0.840058 0.409641 Mn\n0.989669 0.154714 0.243523 Mn\n0.982487 0.839749 0.080577 Mn\n0.980103 0.834295 0.743113 Mn\n0.997204 0.150060 0.574715 Mn\n0.969173 0.139760 0.912523 Mn\n0.502406 0.653442 0.585602 Mn\n0.501641 0.658067 0.921898 Mn\n0.500042 0.651356 0.254566 Mn\n0.494703 0.366480 0.094107 Mn\n0.497729 0.365207 0.425953 Mn\n0.511112 0.361521 0.753135 Mn\n0.780845 0.886734 0.300220 O\n0.782042 0.891469 0.633504 O\n0.777961 0.884337 0.970885 O\n0.767909 0.115014 0.135743 O\n0.766824 0.113741 0.467174 O\n0.769324 0.107426 0.802212 O\n0.721448 0.603147 0.147425 O\n0.718279 0.608647 0.477827 O\n0.718670 0.600608 0.816934 O\n0.273359 0.617419 0.030294 O\n0.275707 0.383947 0.197203 O\n0.272314 0.613833 0.361980 O\n0.278736 0.381894 0.528996 O\n0.280495 0.617567 0.694376 O\n0.740613 0.381221 0.319381 F\n0.763871 0.390613 0.642143 F\n0.728995 0.380695 0.985185 F\n0.246363 0.381359 0.869354 F\n0.234026 0.883136 0.184314 F\n0.228609 0.879313 0.515686 F\n0.245870 0.128216 0.356622 F\n0.241081 0.129766 0.022981 F\n0.230809 0.877370 0.851759 F\n0.252105 0.127819 0.688449 F\n",
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{
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"structure_string": "Li7 Mn4 Co1 O12\n1.0\n2.970332 0.000000 0.000000\n1.478358 6.323739 0.000000\n0.740233 2.909559 11.640655\nLi Mn Co O\n7 4 1 12\ndirect\n0.020390 0.981386 0.253384 Li\n0.337308 0.330463 0.584955 Li\n0.654128 0.672605 0.408436 Li\n0.996106 0.998736 0.746700 Li\n0.675753 0.665558 0.925345 Li\n0.315840 0.350375 0.080973 Li\n0.667592 0.664813 0.167550 Li\n0.012932 0.987508 0.006749 Mn\n0.322538 0.342352 0.328904 Mn\n0.664184 0.670629 0.663528 Mn\n0.342823 0.335423 0.836220 Mn\n0.984740 0.000324 0.496273 Co\n0.484272 0.000555 0.109501 O\n0.816393 0.317287 0.445667 O\n0.184706 0.640477 0.298207 O\n0.529033 0.994535 0.618159 O\n0.210037 0.657705 0.787409 O\n0.881982 0.318195 0.957067 O\n0.455179 0.014489 0.380654 O\n0.799026 0.342956 0.710153 O\n0.123492 0.684013 0.542545 O\n0.520290 0.011449 0.888786 O\n0.149287 0.690001 0.036680 O\n0.851970 0.328166 0.226153 O\n",
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]
}