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{
"id": "mp-1245034",
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"structure_string": "Zn50 S50\n1.0\n13.635668 -0.321780 -0.332921\n-0.357091 13.980664 -1.296172\n-0.395427 -1.323362 13.140628\nZn S\n50 50\ndirect\n0.439278 0.875959 0.302008 Zn\n0.184369 0.647858 0.606644 Zn\n0.360289 0.798657 0.658968 Zn\n0.968595 0.282409 0.530799 Zn\n0.350180 0.528145 0.745617 Zn\n0.357955 0.107909 0.737798 Zn\n0.644241 0.073515 0.323726 Zn\n0.547223 0.729686 0.506699 Zn\n0.079281 0.527941 0.868525 Zn\n0.609039 0.445795 0.734328 Zn\n0.877980 0.799403 0.296064 Zn\n0.726600 0.849446 0.367137 Zn\n0.313183 0.825802 0.076632 Zn\n0.729209 0.073865 0.994418 Zn\n0.106241 0.193474 0.058834 Zn\n0.038702 0.708899 0.711308 Zn\n0.122785 0.299695 0.811643 Zn\n0.713069 0.226431 0.205509 Zn\n0.860207 0.364886 0.823855 Zn\n0.555807 0.014591 0.580585 Zn\n0.772309 0.700890 0.608685 Zn\n0.423413 0.494518 0.442020 Zn\n0.597726 0.637976 0.883914 Zn\n0.532414 0.850472 0.815634 Zn\n0.733218 0.182425 0.603527 Zn\n0.609318 0.333044 0.451210 Zn\n0.513775 0.383680 0.256797 Zn\n0.960972 0.173896 0.920368 Zn\n0.030216 0.667264 0.494725 Zn\n0.932602 0.087185 0.608217 Zn\n0.301286 0.059711 0.454461 Zn\n0.216075 0.792456 0.903471 Zn\n0.960529 0.919769 0.597245 Zn\n0.243362 0.227229 0.276444 Zn\n0.375208 0.624390 0.187406 Zn\n0.207326 0.441090 0.219700 Zn\n0.511904 0.264278 0.025805 Zn\n0.116146 0.871484 0.312716 Zn\n0.927558 0.895242 0.889527 Zn\n0.941704 0.456244 0.592520 Zn\n0.118805 0.395560 0.589583 Zn\n0.125128 0.086490 0.889776 Zn\n0.176333 0.943981 0.063752 Zn\n0.061208 0.624578 0.218357 Zn\n0.962297 0.783852 0.040695 Zn\n0.787468 0.849392 0.995365 Zn\n0.940696 0.354715 0.174007 Zn\n0.362042 0.166243 -0.000044 Zn\n0.887000 0.490564 0.367087 Zn\n0.795247 0.591834 0.809427 Zn\n0.068244 0.695228 0.897068 S\n0.666706 0.329647 0.609889 S\n0.237504 0.184647 0.832253 S\n0.017330 0.817693 0.434068 S\n0.926104 0.501684 0.768833 S\n0.248862 0.112077 0.113140 S\n0.364134 0.895431 0.832834 S\n0.581803 0.948555 0.393788 S\n0.904827 0.807239 0.704865 S\n0.850091 0.039784 0.885714 S\n0.569964 0.423432 0.111587 S\n0.173481 0.146546 0.400709 S\n0.293161 0.685780 0.757693 S\n0.667241 0.617629 0.705088 S\n0.583035 0.479547 0.408047 S\n0.102142 0.926142 0.886085 S\n0.801164 0.381849 0.249196 S\n0.707717 0.415660 0.882595 S\n0.082487 0.401726 0.973655 S\n0.878288 0.581360 0.526597 S\n0.134204 0.221931 0.545426 S\n0.681289 0.226311 0.032129 S\n0.342976 0.446249 0.571802 S\n0.959814 0.233140 0.754536 S\n0.188815 0.439884 0.760502 S\n0.737626 0.560437 0.962426 S\n0.703434 0.971458 0.112537 S\n0.572232 0.215887 0.304858 S\n0.051228 0.911514 0.164005 S\n0.785554 0.072412 0.232877 S\n0.696735 0.718256 0.452896 S\n0.923415 0.680943 0.156461 S\n0.416977 0.109854 0.583193 S\n0.485918 0.504551 0.839701 S\n0.212381 0.579397 0.154829 S\n0.284446 0.924150 0.331897 S\n0.518206 0.563576 0.131666 S\n0.280637 0.739027 0.495426 S\n0.050238 0.538461 0.349483 S\n0.212338 0.490368 0.504665 S\n0.613908 0.803277 0.946578 S\n0.519847 0.854008 0.640303 S\n0.853217 0.161884 0.481107 S\n0.445451 0.770965 0.151335 S\n0.430028 0.041017 0.871790 S\n0.341300 0.371032 0.287785 S\n0.939145 0.353508 0.995238 S\n0.696982 0.057250 0.674897 S\n0.396843 0.662698 0.421679 S\n0.093892 0.305977 0.209742 S\n",
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"updated_at": "2021-11-28T01:38:27.635000Z",
"spacegroup": 1
},
{
"id": "mp-642313",
"created_at": "2022-09-04T14:40:37.239375Z",
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{
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{
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{
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0.725236 Te\n0.221142 0.934357 0.225236 Te\n0.359858 0.524823 0.866395 Te\n0.140142 0.024823 0.366395 Te\n0.640142 0.475177 0.133605 Te\n0.859858 0.975177 0.633605 Te\n0.258576 0.755906 0.763179 H\n0.241424 0.255906 0.263179 H\n0.741424 0.244094 0.236821 H\n0.758576 0.744094 0.736821 H\n0.212667 0.863452 0.635700 H\n0.287333 0.363452 0.135700 H\n0.787333 0.136548 0.364300 H\n0.712667 0.636548 0.864300 H\n0.208484 0.878316 0.790541 H\n0.291516 0.378316 0.290541 H\n0.791516 0.121684 0.209459 H\n0.708484 0.621684 0.709459 H\n0.227299 0.107739 0.709348 H\n0.272701 0.607739 0.209348 H\n0.772701 0.892261 0.290652 H\n0.727299 0.392261 0.790652 H\n0.230294 0.102363 0.551146 H\n0.269706 0.602363 0.051146 H\n0.769706 0.897637 0.448854 H\n0.730294 0.397637 0.948854 H\n0.291824 0.175546 0.610738 H\n0.208176 0.675546 0.110738 H\n0.708176 0.824454 0.389262 H\n0.791824 0.324454 0.889262 H\n0.299345 0.971378 0.869274 H\n0.200655 0.471378 0.369274 H\n0.700655 0.028622 0.130726 H\n0.799345 0.528622 0.630726 H\n0.361220 0.027957 0.760421 H\n0.138780 0.527957 0.260421 H\n0.638780 0.972043 0.239579 H\n0.861220 0.472043 0.739579 H\n0.345535 0.849275 0.830315 H\n0.154465 0.349275 0.330315 H\n0.654465 0.150725 0.169685 H\n0.845535 0.650725 0.669685 H\n0.358179 0.029313 0.558190 H\n0.141821 0.529313 0.058190 H\n0.641821 0.970687 0.441810 H\n0.858179 0.470687 0.941810 H\n0.297192 0.953112 0.499470 H\n0.202808 0.453112 0.999470 H\n0.702808 0.046888 0.500530 H\n0.797192 0.546888 0.000530 H\n0.347788 0.848173 0.617469 H\n0.152212 0.348173 0.117469 H\n0.652212 0.151827 0.382531 H\n0.847788 0.651827 0.882531 H\n0.583392 0.999284 0.950599 H\n0.916608 0.499284 0.450599 H\n0.416608 0.000716 0.049401 H\n0.083392 0.500716 0.549401 H\n0.622707 0.840958 0.984030 H\n0.877293 0.340958 0.484030 H\n0.377293 0.159042 0.015970 H\n0.122707 0.659042 0.515970 H\n0.546082 0.840309 0.034710 H\n0.953918 0.340309 0.534710 H\n0.453918 0.159691 0.965290 H\n0.046082 0.659691 0.465290 H\n0.592356 0.686301 0.878874 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{
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{
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{
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{
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"structure_string": "Fe12 P4 W4 C60 Br4 O60\n1.0\n28.677058 0.000000 0.000000\n0.000000 9.225003 0.000000\n0.000000 9.097472 9.348294\nFe P W C Br O\n12 4 4 60 4 60\ndirect\n0.542293 0.025524 0.793114 Fe\n0.930074 0.838395 0.220059 Fe\n0.188091 0.979336 0.709802 Fe\n0.811909 0.020664 0.290198 Fe\n0.688091 0.020664 0.790198 Fe\n0.957707 0.025524 0.293114 Fe\n0.311909 0.979336 0.209802 Fe\n0.042293 0.974476 0.706886 Fe\n0.069926 0.161605 0.779941 Fe\n0.457707 0.974476 0.206886 Fe\n0.569926 0.838395 0.720059 Fe\n0.430074 0.161605 0.279941 Fe\n0.614454 0.055452 0.705868 P\n0.885546 0.055452 0.205868 P\n0.114454 0.944548 0.794132 P\n0.385546 0.944548 0.294132 P\n0.159848 0.610321 0.011427 W\n0.340152 0.610321 0.511427 W\n0.840152 0.389679 0.988573 W\n0.659848 0.389679 0.488573 W\n0.404833 0.485575 0.536404 C\n0.517922 0.681181 0.789794 C\n0.592493 0.827813 0.595927 C\n0.092493 0.172187 0.904073 C\n0.395266 0.367773 0.132573 C\n0.747480 0.099308 0.780934 C\n0.962172 0.248153 0.262081 C\n0.169468 0.324372 0.209405 C\n0.537828 0.248153 0.762081 C\n0.433185 0.136772 0.031463 C\n0.811441 0.511632 0.061132 C\n0.983659 0.075775 0.639049 C\n0.669468 0.675628 0.290595 C\n0.867117 0.307086 0.886286 C\n0.687546 0.775318 0.968610 C\n0.095167 0.485575 0.036404 C\n0.688559 0.511632 0.561132 C\n0.812454 0.775318 0.468610 C\n0.330532 0.324372 0.709405 C\n0.604734 0.632227 0.867427 C\n0.312454 0.224682 0.031390 C\n0.161373 0.857637 0.657269 C\n0.104734 0.367773 0.632573 C\n0.017922 0.318819 0.710206 C\n0.202261 0.082766 0.785244 C\n0.226082 0.669653 0.040458 C\n0.407507 0.172187 0.404073 C\n0.904833 0.514425 0.963596 C\n0.016341 0.924225 0.360951 C\n0.907507 0.827813 0.095927 C\n0.311441 0.488368 0.438868 C\n0.037828 0.751847 0.737919 C\n0.247480 0.900692 0.719066 C\n0.895266 0.632227 0.367427 C\n0.726082 0.330347 0.459542 C\n0.752520 0.099308 0.280934 C\n0.702261 0.917234 0.714756 C\n0.462172 0.751847 0.237919 C\n0.982078 0.681181 0.289794 C\n0.187546 0.224682 0.531390 C\n0.933185 0.863228 0.468537 C\n0.516341 0.075775 0.139049 C\n0.482078 0.318819 0.210206 C\n0.566815 0.863228 0.968537 C\n0.132883 0.692914 0.113714 C\n0.483659 0.924225 0.860951 C\n0.773918 0.330347 0.959542 C\n0.252520 0.900692 0.219066 C\n0.273918 0.669653 0.540458 C\n0.838627 0.142363 0.342731 C\n0.661373 0.142363 0.842731 C\n0.595167 0.514425 0.463596 C\n0.367117 0.692914 0.613714 C\n0.797739 0.917234 0.214756 C\n0.188559 0.488368 0.938868 C\n0.338627 0.857637 0.157269 C\n0.066815 0.136772 0.531463 C\n0.297739 0.082766 0.285244 C\n0.830532 0.675628 0.790595 C\n0.632883 0.307086 0.386286 C\n0.980347 0.138783 0.063611 Br\n0.519653 0.138783 0.563611 Br\n0.480347 0.861217 0.436389 Br\n0.019653 0.861217 0.936389 Br\n0.737179 0.311641 0.932552 O\n0.464360 0.614333 0.251036 O\n0.143803 0.785705 0.622137 O\n0.856197 0.214295 0.377863 O\n0.964360 0.385667 0.248964 O\n0.946273 0.135081 0.595780 O\n0.295476 0.405273 0.409715 O\n0.439384 0.398649 0.567206 O\n0.704524 0.594727 0.590285 O\n0.372631 0.501587 0.038492 O\n0.035640 0.614333 0.751036 O\n0.204524 0.405273 0.909715 O\n0.188641 0.383751 0.416625 O\n0.175632 0.158717 0.317494 O\n0.795476 0.594727 0.090285 O\n0.127369 0.501587 0.538492 O\n0.288815 0.155414 0.327534 O\n0.560616 0.601351 0.432794 O\n0.762821 0.311641 0.432552 O\n0.311359 0.383751 0.916625 O\n0.484782 0.581803 0.835935 O\n0.785176 0.146464 0.777089 O\n0.015218 0.581803 0.335935 O\n0.984782 0.418197 0.664065 O\n0.119076 0.728519 0.177336 O\n0.811359 0.616249 0.583375 O\n0.515218 0.418197 0.164065 O\n0.711185 0.844586 0.672466 O\n0.643803 0.214295 0.877863 O\n0.060616 0.398649 0.067206 O\n0.417238 0.239921 0.917798 O\n0.237179 0.688359 0.567448 O\n0.392573 0.188483 0.477898 O\n0.285176 0.853536 0.722911 O\n0.917238 0.760079 0.582202 O\n0.553727 0.135081 0.095780 O\n0.082762 0.239921 0.417798 O\n0.675632 0.841283 0.182506 O\n0.053727 0.864919 0.404220 O\n0.324368 0.158717 0.817494 O\n0.582762 0.760079 0.082202 O\n0.688641 0.616249 0.083375 O\n0.214824 0.853536 0.222911 O\n0.535640 0.385667 0.748964 O\n0.714824 0.146464 0.277089 O\n0.607427 0.811517 0.522102 O\n0.380924 0.728519 0.677336 O\n0.356197 0.785705 0.122137 O\n0.619076 0.271481 0.322664 O\n0.446273 0.864919 0.904220 O\n0.824368 0.841283 0.682506 O\n0.627369 0.498413 0.961508 O\n0.939384 0.601351 0.932794 O\n0.788815 0.844586 0.172466 O\n0.892573 0.811517 0.022102 O\n0.872631 0.498413 0.461508 O\n0.262821 0.688359 0.067448 O\n0.211185 0.155414 0.827534 O\n0.880924 0.271481 0.822664 O\n0.107427 0.188483 0.977898 O\n",
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{
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},
{
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{
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}