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{
"id": "mp-1110830",
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"structure_string": "K2 Na1 Pr1 F6\n1.0\n0.000000 4.565410 4.565410\n4.565410 0.000000 4.565410\n4.565410 4.565410 0.000000\nK Na Pr F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Pr\n0.749296 0.250704 0.250704 F\n0.250704 0.250704 0.749296 F\n0.250704 0.749296 0.749296 F\n0.250704 0.749296 0.250704 F\n0.749296 0.250704 0.749296 F\n0.749296 0.749296 0.250704 F\n",
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{
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"structure_string": "Tm2 H18 C10 N4 O16\n1.0\n-6.715058 0.000000 0.000000\n0.000000 0.000000 -8.531430\n3.357529 -9.131359 0.000000\nTm H C N O\n2 18 10 4 16\ndirect\n0.857828 0.750000 0.715657 Tm\n0.142172 0.250000 0.284343 Tm\n0.313167 0.750000 0.626334 H\n0.686833 0.250000 0.373666 H\n0.076427 0.440511 0.579603 H\n0.496823 0.559489 0.420397 H\n0.923573 0.940511 0.420397 H\n0.503177 0.059489 0.579603 H\n0.765664 0.000000 0.000000 H\n0.234336 0.500000 0.000000 H\n0.655221 0.750000 0.310441 H\n0.344779 0.250000 0.689559 H\n0.658522 0.670619 0.011439 H\n0.647083 0.329381 0.988561 H\n0.341478 0.170619 0.988561 H\n0.352917 0.829381 0.011439 H\n0.828678 0.601932 0.185629 H\n0.643048 0.398068 0.814371 H\n0.171322 0.101932 0.814371 H\n0.356952 0.898068 0.185629 H\n0.373807 0.750000 0.747614 C\n0.626193 0.250000 0.252386 C\n0.006135 0.524338 0.488550 C\n0.517584 0.475662 0.511450 C\n0.993865 0.024338 0.511450 C\n0.482416 0.975662 0.488550 C\n0.930398 0.000000 0.000000 C\n0.069602 0.500000 0.000000 C\n0.595296 0.750000 0.190592 C\n0.404704 0.250000 0.809408 C\n0.699100 0.666126 0.123448 N\n0.575652 0.333874 0.876552 N\n0.300900 0.166126 0.876552 N\n0.424348 0.833874 0.123448 N\n0.970428 0.925267 0.900326 O\n0.070102 0.074733 0.099674 O\n0.029572 0.425267 0.099674 O\n0.929898 0.574733 0.900326 O\n0.240052 0.734836 0.812623 O\n0.427428 0.265164 0.187377 O\n0.759948 0.234836 0.187377 O\n0.572572 0.765164 0.812623 O\n0.931699 0.652272 0.517016 O\n0.414683 0.347728 0.482984 O\n0.068301 0.152272 0.482984 O\n0.585317 0.847728 0.517016 O\n0.994949 0.984578 0.637271 O\n0.357678 0.015422 0.362729 O\n0.005051 0.484578 0.362729 O\n0.642322 0.515422 0.637271 O\n",
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{
"id": "mp-559893",
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"structure_string": "Li2 Bi2 Pd4 O8\n1.0\n7.017418 0.000000 0.000000\n0.000000 7.017418 0.000000\n0.000000 0.000000 4.426551\nLi Bi Pd O\n2 2 4 8\ndirect\n0.000000 0.000000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.500000 0.507077 Bi\n0.500000 0.000000 0.492923 Bi\n0.250000 0.250000 0.000000 Pd\n0.250000 0.750000 0.000000 Pd\n0.750000 0.750000 0.000000 Pd\n0.750000 0.250000 0.000000 Pd\n0.226302 0.000000 0.764724 O\n0.000000 0.773698 0.235276 O\n0.773698 0.000000 0.764724 O\n0.273698 0.500000 0.235276 O\n0.000000 0.226302 0.235276 O\n0.500000 0.273698 0.764724 O\n0.726302 0.500000 0.235276 O\n0.500000 0.726302 0.764724 O\n",
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{
"id": "mp-1245150",
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"structure_string": "Ga50 N50\n1.0\n11.868748 -0.272866 -0.092529\n-0.267701 11.837877 -0.669683\n-0.090543 -0.670083 11.582717\nGa N\n50 50\ndirect\n0.136730 0.648346 0.556056 Ga\n0.261621 0.401529 0.401151 Ga\n0.051898 0.654606 0.870204 Ga\n0.906734 0.728126 0.661480 Ga\n0.379106 0.211471 0.179908 Ga\n0.524676 0.557606 0.755056 Ga\n0.596732 0.769079 0.645315 Ga\n0.175575 0.819357 0.232906 Ga\n0.444254 0.556881 0.256202 Ga\n0.929856 0.014747 0.248055 Ga\n0.274829 0.826327 0.903722 Ga\n0.137532 0.011399 0.058908 Ga\n0.870089 0.506626 0.854491 Ga\n0.739512 0.234871 0.880636 Ga\n0.997958 0.271399 0.389482 Ga\n0.515389 0.827701 0.864233 Ga\n0.758031 0.139719 0.418043 Ga\n0.609441 0.669857 0.949057 Ga\n0.773761 0.598211 0.094914 Ga\n0.944505 0.048630 0.541882 Ga\n0.992706 0.819092 0.409161 Ga\n0.504695 0.768941 0.197185 Ga\n0.787081 0.455181 0.325851 Ga\n0.578317 0.379302 0.333317 Ga\n0.328983 0.348890 0.611945 Ga\n0.610357 0.031302 0.249596 Ga\n0.088927 0.221165 0.166326 Ga\n0.051969 0.483279 0.324610 Ga\n0.270075 0.664834 0.333426 Ga\n0.835968 0.959217 0.017171 Ga\n0.910325 0.378991 0.063527 Ga\n0.451873 0.568746 0.518517 Ga\n0.941054 0.231384 0.707382 Ga\n0.911616 0.462332 0.581806 Ga\n0.396998 0.928033 0.107896 Ga\n0.951438 0.130934 0.919826 Ga\n0.777601 0.987703 0.787959 Ga\n0.812078 0.768631 0.858268 Ga\n0.370012 0.779169 0.567093 Ga\n0.998948 0.666694 0.250050 Ga\n0.786009 0.200616 0.179181 Ga\n0.751952 0.814201 0.204243 Ga\n0.045406 0.928660 0.801302 Ga\n0.284967 0.628523 0.708405 Ga\n0.315207 0.042137 0.321172 Ga\n0.064282 0.538115 0.060390 Ga\n0.232354 0.892269 0.465698 Ga\n0.575011 0.831505 0.446248 Ga\n0.734536 0.581933 0.520278 Ga\n0.988294 0.785926 0.050804 Ga\n0.246970 0.091470 0.660516 N\n0.698416 0.308301 0.597779 N\n0.531670 0.207301 0.434783 N\n0.975019 0.974782 0.394251 N\n0.183754 0.555156 0.413475 N\n0.170346 0.944137 0.905030 N\n0.803684 0.463315 0.163315 N\n0.206492 0.682407 0.842123 N\n0.742623 0.795867 0.384483 N\n0.382166 0.581899 0.013598 N\n0.996959 0.604026 0.613524 N\n0.671422 0.849203 0.782747 N\n0.070211 0.297837 0.572349 N\n0.604572 0.390549 0.975917 N\n0.186977 0.395338 0.811219 N\n0.156651 0.355339 0.583770 N\n0.537766 0.028493 0.931644 N\n0.615732 0.024106 0.578465 N\n0.922698 0.414887 0.407953 N\n0.639224 0.701814 0.121441 N\n0.269504 0.359591 0.031795 N\n0.224330 0.429976 0.082132 N\n0.428862 0.238902 0.812402 N\n0.879888 0.721294 0.157772 N\n0.093422 0.823590 0.549966 N\n0.243073 0.953268 0.173797 N\n0.599433 0.601944 0.605288 N\n0.538594 0.899881 0.316165 N\n0.013751 0.866644 0.631581 N\n0.516512 0.399357 0.159484 N\n0.560126 0.059561 0.650586 N\n0.988609 0.950390 0.101109 N\n0.820143 0.785488 0.451494 N\n0.941885 0.178549 0.251276 N\n0.466071 0.075877 0.188174 N\n0.132574 0.332811 0.304270 N\n0.368920 0.675942 0.026290 N\n0.563581 0.393718 0.066808 N\n0.642041 0.312222 0.675430 N\n0.844785 0.225018 0.019306 N\n0.762061 0.973820 0.179030 N\n0.167263 0.104134 0.709913 N\n0.458107 0.186281 0.491420 N\n0.098257 0.368839 0.832825 N\n0.435229 0.453334 0.381202 N\n0.385820 0.505867 0.660326 N\n0.434954 0.763320 0.720693 N\n0.613345 0.082786 0.968491 N\n0.384048 0.187080 0.874881 N\n0.765469 0.622145 0.923440 N\n",
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{
"id": "mp-1101817",
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"structure_string": "Sm4 Ni4 Ge4\n1.0\n4.322442 0.000000 0.000000\n0.000000 7.128635 0.000000\n0.000000 0.000000 7.243721\nSm Ni Ge\n4 4 4\ndirect\n0.250000 0.485179 0.200650 Sm\n0.250000 0.985179 0.299350 Sm\n0.750000 0.514821 0.799350 Sm\n0.750000 0.014821 0.700650 Sm\n0.250000 0.178150 0.920895 Ni\n0.250000 0.678150 0.579105 Ni\n0.750000 0.821850 0.079105 Ni\n0.750000 0.321850 0.420895 Ni\n0.250000 0.306980 0.593334 Ge\n0.250000 0.806980 0.906666 Ge\n0.750000 0.693020 0.406666 Ge\n0.750000 0.193020 0.093334 Ge\n",
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{
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"structure_string": "Dy1 As1\n1.0\n3.576506 0.000000 0.000000\n0.000000 3.576506 0.000000\n0.000000 0.000000 3.576506\nDy As\n1 1\ndirect\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.500000 As\n",
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{
"id": "mp-703521",
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"structure_string": "Na10 P6 H24 O32\n1.0\n7.611665 0.000000 0.000000\n-0.368929 9.887513 0.000000\n-0.867580 -0.165642 10.415688\nNa P H O\n10 6 24 32\ndirect\n0.908856 0.065638 0.117635 Na\n0.091144 0.934362 0.882365 Na\n0.950618 0.410644 0.132206 Na\n0.049382 0.589356 0.867794 Na\n0.583180 0.062768 0.863209 Na\n0.416820 0.937232 0.136791 Na\n0.229596 0.241651 0.338659 Na\n0.770404 0.758349 0.661341 Na\n0.578105 0.449730 0.854085 Na\n0.421895 0.550270 0.145915 Na\n0.740104 0.254546 0.609030 P\n0.259896 0.745454 0.390970 P\n0.952363 0.265619 0.852608 P\n0.047637 0.734381 0.147392 P\n0.282279 0.236682 0.005131 P\n0.717721 0.763318 0.994869 P\n0.611773 0.280978 0.107366 H\n0.388227 0.719022 0.892634 H\n0.674874 0.234780 0.246092 H\n0.325126 0.765220 0.753908 H\n0.892852 0.090413 0.411996 H\n0.107148 0.909587 0.588004 H\n0.057212 0.008607 0.380016 H\n0.942788 0.991393 0.619984 H\n0.912912 0.395051 0.415477 H\n0.087088 0.604949 0.584523 H\n0.075066 0.489315 0.388101 H\n0.924934 0.510685 0.611899 H\n0.559909 0.416692 0.396339 H\n0.440091 0.583308 0.603661 H\n0.380211 0.487144 0.399505 H\n0.619789 0.512856 0.600495 H\n0.170989 0.242418 0.618459 H\n0.829011 0.757582 0.381541 H\n0.377566 0.251833 0.618806 H\n0.622434 0.748167 0.381194 H\n0.440470 0.911457 0.596703 H\n0.559530 0.088543 0.403297 H\n0.609111 0.003010 0.622144 H\n0.390889 0.996990 0.377856 H\n0.933594 0.268879 0.696942 O\n0.066406 0.731121 0.303058 O\n0.163286 0.288219 0.872295 O\n0.836714 0.711781 0.127705 O\n0.871129 0.389668 0.906510 O\n0.128871 0.610332 0.093490 O\n0.892832 0.127682 0.896517 O\n0.107168 0.872318 0.103483 O\n0.745417 0.380897 0.524167 O\n0.254583 0.619103 0.475833 O\n0.747976 0.120613 0.533212 O\n0.252024 0.879387 0.466788 O\n0.598126 0.252520 0.703443 O\n0.401874 0.747480 0.296557 O\n0.437018 0.340958 0.016795 O\n0.562982 0.659042 0.983205 O\n0.333745 0.093662 0.971445 O\n0.666255 0.906338 0.028555 O\n0.160407 0.244378 0.113904 O\n0.839593 0.755622 0.886096 O\n0.718166 0.252825 0.162793 O\n0.281834 0.747175 0.837207 O\n0.971976 0.072600 0.343077 O\n0.028024 0.927400 0.656923 O\n0.004763 0.409635 0.354250 O\n0.995237 0.590365 0.645750 O\n0.447124 0.429406 0.344488 O\n0.552876 0.570594 0.655512 O\n0.266405 0.245022 0.562292 O\n0.733595 0.754978 0.437708 O\n0.541108 0.929480 0.661847 O\n0.458892 0.070520 0.338153 O\n",
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"formula_full": "Na10 P6 H24 O32",
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},
{
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