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{
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"structure_string": "U6 Cu4 Se14\n1.0\n5.079509 -8.797967 0.000000\n5.079509 8.797967 0.000000\n0.000000 0.000000 5.970387\nU Cu Se\n6 4 14\ndirect\n0.847767 0.621391 0.526727 U\n0.226376 0.847767 0.026727 U\n0.152233 0.378609 0.026727 U\n0.378609 0.226376 0.526727 U\n0.621391 0.773624 0.026727 U\n0.773624 0.152233 0.526727 U\n0.666667 0.333333 0.159125 Cu\n0.000000 0.000000 0.000175 Cu\n0.333333 0.666667 0.659125 Cu\n0.000000 0.000000 0.500175 Cu\n0.076455 0.564444 0.779191 Se\n0.264557 0.154444 0.013645 Se\n0.435556 0.512011 0.779191 Se\n0.666667 0.333333 0.753110 Se\n0.154444 0.889887 0.513645 Se\n0.889887 0.735443 0.013645 Se\n0.333333 0.666667 0.253110 Se\n0.110113 0.264557 0.513645 Se\n0.512011 0.076455 0.279191 Se\n0.923545 0.435556 0.279191 Se\n0.564444 0.487989 0.279191 Se\n0.735443 0.845556 0.513645 Se\n0.487989 0.923545 0.779191 Se\n0.845556 0.110113 0.013645 Se\n",
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{
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"structure_string": "Li8 Mn8 F24\n1.0\n5.465863 0.000000 0.000000\n0.000000 9.035989 0.000000\n0.000000 0.000000 10.052948\nLi Mn F\n8 8 24\ndirect\n0.183006 0.165366 0.004793 Li\n0.151717 0.827560 0.781962 Li\n0.348283 0.327560 0.281962 Li\n0.316994 0.665366 0.504793 Li\n0.683006 0.334634 0.004793 Li\n0.651717 0.672440 0.781962 Li\n0.848283 0.172440 0.281962 Li\n0.816994 0.834634 0.504793 Li\n0.156392 0.477450 0.807203 Mn\n0.161494 0.143298 0.572073 Mn\n0.338506 0.643298 0.072073 Mn\n0.343608 0.977450 0.307203 Mn\n0.656392 0.022550 0.807203 Mn\n0.661494 0.356702 0.572073 Mn\n0.838506 0.856702 0.072073 Mn\n0.843608 0.522550 0.307203 Mn\n0.007660 0.332342 0.942232 F\n0.013731 0.998418 0.431572 F\n0.041634 0.681485 0.932017 F\n0.176541 0.825353 0.172317 F\n0.172189 0.156405 0.199023 F\n0.174058 0.492121 0.201198 F\n0.325942 0.992121 0.701198 F\n0.327811 0.656405 0.699023 F\n0.323459 0.325353 0.672317 F\n0.458366 0.181485 0.432017 F\n0.486269 0.498418 0.931572 F\n0.492340 0.832342 0.442232 F\n0.507660 0.167658 0.942232 F\n0.513731 0.501582 0.431572 F\n0.541634 0.818515 0.932017 F\n0.676541 0.674647 0.172317 F\n0.672189 0.343595 0.199023 F\n0.674058 0.007879 0.201198 F\n0.825942 0.507879 0.701198 F\n0.827811 0.843595 0.699023 F\n0.823459 0.174647 0.672317 F\n0.958366 0.318515 0.432017 F\n0.986269 0.001582 0.931572 F\n0.992340 0.667658 0.442232 F\n",
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},
{
"id": "mp-774502",
"created_at": "2022-09-04T14:40:11.734044Z",
"structure_string": "Nb1 Sb3 P6 O24\n1.0\n7.933026 -4.420143 0.000000\n7.933026 4.420143 0.000000\n5.470200 0.000000 7.248964\nNb Sb P O\n1 3 6 24\ndirect\n0.141542 0.141542 0.141542 Nb\n0.856621 0.856621 0.856621 Sb\n0.642066 0.642066 0.642066 Sb\n0.355515 0.355515 0.355515 Sb\n0.537367 0.960911 0.250051 P\n0.250051 0.537367 0.960911 P\n0.960911 0.250051 0.537367 P\n0.039120 0.747746 0.462111 P\n0.747746 0.462111 0.039120 P\n0.462111 0.039120 0.747746 P\n0.480972 0.872945 0.726846 O\n0.872945 0.726846 0.480972 O\n0.716494 0.937369 0.080702 O\n0.726846 0.480972 0.872945 O\n0.553891 0.783514 0.420007 O\n0.367921 0.000507 0.215953 O\n0.080702 0.716494 0.937369 O\n0.420007 0.553891 0.783514 O\n0.783514 0.420007 0.553891 O\n0.015237 0.774442 0.628840 O\n0.066601 0.921917 0.287759 O\n0.774442 0.628840 0.015237 O\n0.215953 0.367921 0.000507 O\n0.937369 0.080702 0.716494 O\n0.000507 0.215953 0.367921 O\n0.218550 0.579374 0.436370 O\n0.579374 0.436370 0.218550 O\n0.921917 0.287759 0.066601 O\n0.628840 0.015237 0.774442 O\n0.436370 0.218550 0.579374 O\n0.277682 0.516816 0.126240 O\n0.287759 0.066601 0.921917 O\n0.126240 0.277682 0.516816 O\n0.516816 0.126240 0.277682 O\n",
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{
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"created_at": "2022-09-04T14:40:11.734717Z",
"structure_string": "Zn2 Co2 P4 O14\n1.0\n0.793953 5.850438 2.535623\n0.552287 -0.387334 7.029539\n6.209270 -0.155444 0.878292\nZn Co P O\n2 2 4 14\ndirect\n0.284786 0.197786 0.934197 Zn\n0.716988 0.798654 0.068630 Zn\n0.906742 0.209216 0.333650 Co\n0.093184 0.802020 0.670081 Co\n0.207959 0.770344 0.166102 P\n0.789878 0.230959 0.837291 P\n0.646205 0.674717 0.601594 P\n0.354736 0.323325 0.397074 P\n0.630254 0.451868 0.738684 O\n0.363729 0.550350 0.269473 O\n0.066124 0.745022 0.003305 O\n0.934587 0.253169 0.997906 O\n0.246110 0.354452 0.627767 O\n0.757624 0.632224 0.373558 O\n0.597152 0.191363 0.382504 O\n0.404756 0.811413 0.604835 O\n0.627606 0.115900 0.950115 O\n0.374529 0.880068 0.049497 O\n0.943046 0.125652 0.653835 O\n0.053452 0.880629 0.344580 O\n0.210333 0.268911 0.258149 O\n0.790220 0.731956 0.737172 O\n",
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{
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"created_at": "2022-09-04T14:40:11.755299Z",
"structure_string": "Li8 V6 P16 O58\n1.0\n-9.736980 0.000000 0.000000\n4.830919 8.490222 0.000000\n-0.041537 -0.121612 -14.184397\nLi V P O\n8 6 16 58\ndirect\n0.771260 0.084959 0.440711 Li\n0.916482 0.687960 0.441179 Li\n0.765471 0.666390 0.938892 Li\n0.330718 0.096380 0.940770 Li\n0.315384 0.222248 0.447275 Li\n0.230598 0.333502 0.054447 Li\n0.090405 0.319096 0.565337 Li\n0.960392 0.987411 0.997647 Li\n0.570497 0.569479 0.746476 V\n0.435242 0.434689 0.250918 V\n0.567515 0.999291 0.247116 V\n0.435464 0.998988 0.750975 V\n0.993712 0.431455 0.756630 V\n0.006277 0.569313 0.245637 V\n0.916729 0.222603 0.162063 P\n0.771015 0.087003 0.657559 P\n0.915960 0.681812 0.656114 P\n0.660826 0.333043 0.870389 P\n0.671913 0.336884 0.368337 P\n0.772014 0.684296 0.156606 P\n0.685396 0.772071 0.339104 P\n0.313382 0.087321 0.154605 P\n0.696190 0.916479 0.840332 P\n0.319796 0.227274 0.660917 P\n0.230685 0.318996 0.840448 P\n0.331317 0.663342 0.632090 P\n0.335273 0.662180 0.130647 P\n0.089221 0.320465 0.345248 P\n0.228954 0.916065 0.336196 P\n0.083854 0.779731 0.839395 P\n0.004299 0.246963 0.435547 O\n0.918290 0.252782 0.664449 O\n0.798877 0.996787 0.922632 O\n0.744928 0.087114 0.166520 O\n0.919078 0.382878 0.172088 O\n0.802659 0.323548 0.828573 O\n0.906030 0.522284 0.678930 O\n0.991759 0.799147 0.917554 O\n0.913990 0.654930 0.169615 O\n0.672684 0.186737 0.331642 O\n0.619367 0.098064 0.682190 O\n0.821408 0.484532 0.326397 O\n0.648405 0.337536 0.974846 O\n0.662414 0.346079 0.472723 O\n0.670692 0.487960 0.827769 O\n0.470858 0.091658 0.169551 O\n0.505023 0.185302 0.829277 O\n0.745638 0.658175 0.669020 O\n0.786422 0.796941 0.242532 O\n0.769323 0.756703 0.420901 O\n0.781670 0.761172 0.064635 O\n0.615839 0.526821 0.172698 O\n0.520874 0.336315 0.322448 O\n0.657826 0.740652 0.836311 O\n0.480129 0.379657 0.677763 O\n0.342413 0.082205 0.665262 O\n0.789004 0.989445 0.742614 O\n0.755884 0.008625 0.565197 O\n0.231751 0.008907 0.419920 O\n0.663921 0.918244 0.340167 O\n0.521973 0.620439 0.320028 O\n0.336491 0.258273 0.168172 O\n0.479495 0.659813 0.677934 O\n0.386126 0.473837 0.826530 O\n0.228235 0.232594 0.928234 O\n0.241651 0.238135 0.572323 O\n0.208514 0.208498 0.749460 O\n0.257425 0.339002 0.343131 O\n0.481931 0.805797 0.171384 O\n0.539895 0.922909 0.831649 O\n0.324218 0.506718 0.175415 O\n0.318931 0.638128 0.027134 O\n0.343407 0.673323 0.528227 O\n0.183011 0.514966 0.669484 O\n0.383149 0.909684 0.320250 O\n0.340173 0.814114 0.682484 O\n0.088561 0.346993 0.835529 O\n0.995283 0.204819 0.259047 O\n0.006831 0.209713 0.080729 O\n0.097985 0.479226 0.323954 O\n0.186497 0.666711 0.176045 O\n0.082851 0.622798 0.833023 O\n0.258225 0.920351 0.839452 O\n0.231018 0.022994 0.063287 O\n0.200013 0.989578 0.240972 O\n0.085117 0.744906 0.336484 O\n0.987684 0.748499 0.564237 O\n0.014640 0.801238 0.739888 O\n",
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{
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{
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"structure_string": "K12 Hg12 S8 Cl20 O24\n1.0\n6.138559 0.000000 0.000000\n0.000000 12.586530 0.000000\n0.000000 0.000000 22.758475\nK Hg S Cl O\n12 12 8 20 24\ndirect\n0.750000 0.134195 0.489672 K\n0.250000 0.126228 0.997981 K\n0.250000 0.368895 0.132935 K\n0.250000 0.634195 0.010328 K\n0.250000 0.865805 0.510328 K\n0.750000 0.626228 0.502019 K\n0.750000 0.631105 0.867065 K\n0.250000 0.373772 0.497981 K\n0.750000 0.873772 0.002019 K\n0.750000 0.365805 0.989672 K\n0.250000 0.131105 0.632935 K\n0.750000 0.868895 0.367065 K\n0.750000 0.125726 0.811784 Hg\n0.250000 0.874274 0.188216 Hg\n0.750000 0.113045 0.191223 Hg\n0.750000 0.386955 0.691223 Hg\n0.250000 0.886955 0.808777 Hg\n0.250000 0.140985 0.314034 Hg\n0.250000 0.625726 0.688216 Hg\n0.250000 0.613045 0.308777 Hg\n0.750000 0.374274 0.311784 Hg\n0.750000 0.859015 0.685966 Hg\n0.750000 0.640985 0.185966 Hg\n0.250000 0.359015 0.814034 Hg\n0.250000 0.839519 0.912879 S\n0.250000 0.421883 0.916239 S\n0.750000 0.160481 0.087121 S\n0.250000 0.660481 0.412879 S\n0.250000 0.078117 0.416239 S\n0.750000 0.339519 0.587121 S\n0.750000 0.921883 0.583761 S\n0.750000 0.578117 0.083761 S\n0.750000 0.372263 0.415606 Cl\n0.250000 0.369982 0.308999 Cl\n0.750000 0.630018 0.691001 Cl\n0.250000 0.366655 0.704494 Cl\n0.250000 0.611112 0.200314 Cl\n0.250000 0.133345 0.204494 Cl\n0.250000 0.873458 0.292491 Cl\n0.250000 0.627737 0.584394 Cl\n0.750000 0.373458 0.207509 Cl\n0.750000 0.111112 0.299686 Cl\n0.250000 0.626542 0.792491 Cl\n0.750000 0.866655 0.795506 Cl\n0.250000 0.888888 0.700314 Cl\n0.750000 0.127737 0.915606 Cl\n0.750000 0.388888 0.799686 Cl\n0.750000 0.869982 0.191001 Cl\n0.750000 0.126542 0.707509 Cl\n0.250000 0.130018 0.808999 Cl\n0.250000 0.872263 0.084394 Cl\n0.750000 0.633345 0.295506 Cl\n0.250000 0.171156 0.456258 O\n0.950144 0.987081 0.575960 O\n0.949867 0.224531 0.076300 O\n0.450144 0.487081 0.924040 O\n0.950144 0.512919 0.075960 O\n0.050133 0.775469 0.923700 O\n0.550133 0.275469 0.576300 O\n0.750000 0.828844 0.543742 O\n0.750000 0.061448 0.052463 O\n0.250000 0.938552 0.947537 O\n0.449867 0.724531 0.423700 O\n0.250000 0.328844 0.956258 O\n0.549856 0.987081 0.575960 O\n0.049856 0.487081 0.924040 O\n0.250000 0.561448 0.447537 O\n0.550133 0.224531 0.076300 O\n0.449867 0.775469 0.923700 O\n0.450144 0.012919 0.424040 O\n0.949867 0.275469 0.576300 O\n0.750000 0.671156 0.043742 O\n0.049856 0.012919 0.424040 O\n0.050133 0.724531 0.423700 O\n0.549856 0.512919 0.075960 O\n0.750000 0.438552 0.552463 O\n",
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"formula_full": "K12 Hg12 S8 Cl20 O24",
"formula_reduced": "K3Hg3S2Cl5O6",
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"updated_at": "2021-11-28T01:34:33.952000Z",
"spacegroup": 62
},
{
"id": "mp-773015",
"created_at": "2022-09-04T14:39:11.695515Z",
"structure_string": "K8 Li12 Mn4 O16\n1.0\n8.971812 0.000000 0.000000\n0.000000 5.547914 0.000000\n0.000000 3.418643 10.439584\nK Li Mn O\n8 12 4 16\ndirect\n0.226992 0.714584 0.892227 K\n0.490259 0.708031 0.637845 K\n0.273008 0.714584 0.392227 K\n0.990259 0.291969 0.862155 K\n0.009741 0.708031 0.137845 K\n0.726992 0.285416 0.607773 K\n0.509741 0.291969 0.362155 K\n0.773008 0.285416 0.107773 K\n0.964115 0.905148 0.705438 Li\n0.734886 0.621354 0.800272 Li\n0.535885 0.905148 0.205438 Li\n0.505386 0.379348 0.926791 Li\n0.005386 0.620652 0.573209 Li\n0.234886 0.378646 0.699728 Li\n0.765114 0.621354 0.300272 Li\n0.994614 0.379348 0.426791 Li\n0.494614 0.620652 0.073209 Li\n0.464115 0.094852 0.794562 Li\n0.265114 0.378646 0.199728 Li\n0.035885 0.094852 0.294562 Li\n0.706466 0.910167 0.942267 Mn\n0.793534 0.910167 0.442267 Mn\n0.206466 0.089833 0.557733 Mn\n0.293534 0.089833 0.057733 Mn\n0.891891 0.798098 0.887942 O\n0.537962 0.747421 0.882208 O\n0.807377 0.746653 0.622661 O\n0.171411 0.742659 0.654095 O\n0.608109 0.798098 0.387942 O\n0.962038 0.747421 0.382208 O\n0.671411 0.257341 0.845905 O\n0.307377 0.253347 0.877339 O\n0.692623 0.746653 0.122661 O\n0.328589 0.742659 0.154095 O\n0.037962 0.252579 0.617792 O\n0.391891 0.201902 0.612058 O\n0.828589 0.257341 0.345905 O\n0.192623 0.253347 0.377339 O\n0.462038 0.252579 0.117792 O\n0.108109 0.201902 0.112058 O\n",
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"formula_full": "K8 Li12 Mn4 O16",
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{
"id": "mp-1223341",
"created_at": "2022-09-04T14:39:11.706299Z",
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],
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"density": 3.7651440545484323,
"density_atomic": 0.048826051949531345,
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"formula_full": "K1 Sn2 F5",
"formula_reduced": "KSn2F5",
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{
"id": "mp-760327",
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"structure_string": "Na24 Ni4 O16\n1.0\n0.000349 -0.001417 5.462433\n7.484940 7.494054 -0.002844\n-7.493755 7.503590 -0.000756\nNa Ni O\n24 4 16\ndirect\n0.655731 0.248423 0.000055 Na\n0.656571 0.752025 0.500273 Na\n0.844682 0.748131 0.000162 Na\n0.843483 0.251581 0.499415 Na\n0.155757 0.248650 0.001571 Na\n0.156487 0.751811 0.498762 Na\n0.344512 0.748496 0.998619 Na\n0.343607 0.251493 0.501172 Na\n0.750034 0.287011 0.249602 Na\n0.749201 0.787194 0.750538 Na\n0.749391 0.501363 0.462653 Na\n0.750465 0.998668 0.962965 Na\n0.749460 0.498764 0.037313 Na\n0.750486 0.001599 0.537177 Na\n0.751163 0.712852 0.250142 Na\n0.749139 0.212861 0.749778 Na\n0.251074 0.287206 0.751404 Na\n0.249050 0.786921 0.248466 Na\n0.250254 0.498565 0.963216 Na\n0.250165 0.001488 0.462670 Na\n0.249800 0.501339 0.537199 Na\n0.249966 0.998500 0.037320 Na\n0.251226 0.713002 0.748843 Na\n0.248844 0.212534 0.251028 Na\n0.247597 0.000278 0.750119 Ni\n0.251584 0.499709 0.250539 Ni\n0.754073 0.499927 0.749761 Ni\n0.745907 0.999905 0.249687 Ni\n0.926880 0.624549 0.625581 O\n0.928477 0.120245 0.128992 O\n0.926083 0.375218 0.874177 O\n0.929049 0.879620 0.370802 O\n0.570893 0.379594 0.628894 O\n0.573791 0.875182 0.125678 O\n0.571674 0.620419 0.870736 O\n0.573363 0.124495 0.374244 O\n0.425408 0.625245 0.374167 O\n0.429599 0.120300 0.871730 O\n0.425557 0.375239 0.126659 O\n0.430080 0.880015 0.629071 O\n0.070917 0.620145 0.128276 O\n0.075058 0.125290 0.626164 O\n0.068850 0.379190 0.370550 O\n0.074614 0.875311 0.873827 O\n",
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{
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"structure_string": "Na1 Nd3 Ti3 Mn1 O12\n1.0\n5.499195 0.000000 0.000000\n0.012090 5.656948 0.000000\n0.032851 0.017159 7.885426\nNa Nd Ti Mn O\n1 3 3 1 12\ndirect\n0.497258 0.481868 0.249795 Na\n0.017041 0.949638 0.241615 Nd\n0.512514 0.550893 0.762916 Nd\n0.988599 0.051298 0.754506 Nd\n0.498357 0.021090 0.503802 Ti\n0.009893 0.511686 0.491451 Ti\n0.503607 0.004210 0.016336 Ti\n0.004033 0.495806 0.006750 Mn\n0.587411 0.023113 0.253804 O\n0.916462 0.518494 0.266886 O\n0.413663 0.971889 0.738663 O\n0.093895 0.472249 0.734175 O\n0.784599 0.804147 0.952892 O\n0.707510 0.272940 0.555983 O\n0.203987 0.197230 0.459679 O\n0.311249 0.720506 0.039027 O\n0.204607 0.177011 0.030355 O\n0.270076 0.723721 0.453331 O\n0.776420 0.780696 0.549060 O\n0.698819 0.271513 0.938975 O\n",
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}
]
}