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{
"id": "mp-570123",
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"structure_string": "Cs12 Bi4 Cl24\n1.0\n4.200068 13.757523 0.000000\n-4.200068 13.757523 0.000000\n0.000000 2.239807 13.251354\nCs Bi Cl\n12 4 24\ndirect\n0.024873 0.652333 0.299147 Cs\n0.204654 0.696051 0.932222 Cs\n0.467915 0.840338 0.854884 Cs\n0.975127 0.347667 0.700853 Cs\n0.840338 0.467915 0.354884 Cs\n0.696051 0.204654 0.432222 Cs\n0.652333 0.024873 0.799147 Cs\n0.159662 0.532085 0.645116 Cs\n0.532085 0.159662 0.145116 Cs\n0.303949 0.795346 0.567778 Cs\n0.347667 0.975127 0.200853 Cs\n0.795346 0.303949 0.067778 Cs\n0.783637 0.216363 0.750000 Bi\n0.500000 0.000000 0.500000 Bi\n0.216363 0.783637 0.250000 Bi\n0.000000 0.500000 0.000000 Bi\n0.381111 0.272398 0.419238 Cl\n0.139166 0.361661 0.185483 Cl\n0.361661 0.139166 0.685483 Cl\n0.832849 0.282643 0.564906 Cl\n0.502326 0.611965 0.319159 Cl\n0.611965 0.502326 0.819159 Cl\n0.222511 0.131858 0.465330 Cl\n0.727602 0.618889 0.080762 Cl\n0.272398 0.381111 0.919238 Cl\n0.860834 0.638339 0.814517 Cl\n0.082924 0.031809 0.806310 Cl\n0.917076 0.968191 0.193690 Cl\n0.131858 0.222511 0.965330 Cl\n0.282643 0.832849 0.064906 Cl\n0.031809 0.082924 0.306310 Cl\n0.777489 0.868142 0.534670 Cl\n0.167151 0.717357 0.435094 Cl\n0.638339 0.860834 0.314517 Cl\n0.968191 0.917076 0.693690 Cl\n0.388035 0.497674 0.180841 Cl\n0.618889 0.727602 0.580762 Cl\n0.868142 0.777489 0.034670 Cl\n0.717357 0.167151 0.935094 Cl\n0.497674 0.388035 0.680841 Cl\n",
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{
"id": "mp-27641",
"created_at": "2022-09-04T14:47:05.640695Z",
"structure_string": "Cs4 Br12\n1.0\n6.871084 0.000000 0.000000\n0.000000 9.868171 0.000000\n0.000000 0.000000 10.277337\nCs Br\n4 12\ndirect\n0.250000 0.042401 0.685004 Cs\n0.750000 0.957599 0.314996 Cs\n0.750000 0.542401 0.814996 Cs\n0.250000 0.457599 0.185004 Cs\n0.250000 0.765873 0.943117 Br\n0.750000 0.234127 0.056883 Br\n0.750000 0.265873 0.556883 Br\n0.250000 0.734127 0.443117 Br\n0.250000 0.387732 0.821806 Br\n0.750000 0.612268 0.178194 Br\n0.750000 0.887732 0.678194 Br\n0.250000 0.112268 0.321806 Br\n0.250000 0.563974 0.626554 Br\n0.750000 0.436026 0.373446 Br\n0.750000 0.063974 0.873446 Br\n0.250000 0.936026 0.126554 Br\n",
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{
"id": "mp-1260118",
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"structure_string": "Sr3 Nd10 Al12 Si18 N36 O18\n1.0\n11.034080 0.026666 -3.884808\n-5.493544 9.541127 -3.883766\n0.007158 0.013632 11.674568\nSr Nd Al Si N O\n3 10 12 18 36 18\ndirect\n0.679881 0.423899 0.997748 Sr\n0.679881 0.997748 0.423899 Sr\n0.919064 0.975942 0.975942 Sr\n0.253475 0.575625 0.575625 Nd\n0.329924 0.750848 0.325005 Nd\n0.329924 0.325005 0.750848 Nd\n0.420538 0.002293 0.672039 Nd\n0.420538 0.672039 0.002293 Nd\n0.579566 0.572671 0.249824 Nd\n0.579566 0.249824 0.572671 Nd\n0.749173 0.329648 0.329648 Nd\n0.001085 0.675640 0.424908 Nd\n0.001085 0.424908 0.675640 Nd\n0.162573 0.999558 0.754404 Al\n0.000930 0.755340 0.162632 Al\n0.000930 0.162632 0.755340 Al\n0.162573 0.754404 0.999558 Al\n0.586413 0.836458 0.836458 Al\n0.250097 0.249162 0.412882 Al\n0.250097 0.412882 0.249162 Al\n0.411462 0.248150 0.248150 Al\n0.837754 0.590867 0.837846 Al\n0.837754 0.837846 0.590867 Al\n0.754894 0.000929 0.163470 Al\n0.754894 0.163470 0.000929 Al\n0.000534 0.698199 0.698199 Si\n0.299790 0.838185 0.838185 Si\n0.001556 0.160894 0.462309 Si\n0.302448 0.000000 0.300633 Si\n0.160959 0.998618 0.461181 Si\n0.160959 0.461181 0.998618 Si\n0.539152 0.700807 0.540075 Si\n0.539152 0.540075 0.700807 Si\n0.302448 0.300633 0.000000 Si\n0.700415 0.539316 0.539316 Si\n0.462660 0.999192 0.160090 Si\n0.462660 0.160090 0.999192 Si\n0.840484 0.842223 0.301853 Si\n0.840484 0.301853 0.842223 Si\n0.700530 0.700763 0.000872 Si\n0.700530 0.000872 0.700763 Si\n0.001556 0.462309 0.160894 Si\n0.002572 0.301105 0.301105 Si\n0.999914 0.681153 0.838744 N\n0.999914 0.838744 0.681153 N\n0.145955 0.693727 0.693727 N\n0.999525 0.304536 0.449826 N\n0.159651 0.845859 0.158601 N\n0.159651 0.158601 0.845859 N\n0.152982 0.480704 0.150985 N\n0.152982 0.150985 0.480704 N\n0.158968 0.316479 0.316479 N\n0.449928 0.997674 0.302498 N\n0.327635 0.999069 0.849388 N\n0.327635 0.849388 0.999069 N\n0.695773 0.846833 0.998517 N\n0.525880 0.675037 0.675037 N\n0.550706 0.856392 0.553031 N\n0.550706 0.553031 0.856392 N\n0.325037 0.161960 0.325207 N\n0.325037 0.325207 0.161960 N\n0.301615 0.992221 0.446432 N\n0.301615 0.446432 0.992221 N\n0.671814 0.521824 0.672334 N\n0.671814 0.672334 0.521824 N\n0.847669 0.000059 0.700810 N\n0.449928 0.302498 0.997674 N\n0.478764 0.150289 0.150289 N\n0.695773 0.998517 0.846833 N\n0.696000 0.700725 0.147298 N\n0.696000 0.147298 0.700725 N\n0.855404 0.550438 0.550438 N\n0.000059 0.849183 0.329157 N\n0.000059 0.329157 0.849183 N\n0.847669 0.700810 0.000059 N\n0.854747 0.153784 0.153784 N\n0.856946 0.002606 0.325089 N\n0.856946 0.325089 0.002606 N\n0.999525 0.449826 0.304536 N\n0.250122 0.748550 0.500876 O\n0.250122 0.500876 0.748550 O\n0.419648 0.809251 0.809251 O\n0.188856 0.997824 0.609947 O\n0.188856 0.609947 0.997824 O\n0.387430 0.396679 0.581103 O\n0.387430 0.581103 0.396679 O\n0.485206 0.239956 0.729777 O\n0.485206 0.729777 0.239956 O\n0.608649 0.996819 0.180736 O\n0.581355 0.390843 0.390843 O\n0.809134 0.422698 0.817014 O\n0.809134 0.817014 0.422698 O\n0.756155 0.508404 0.266919 O\n0.756155 0.266919 0.508404 O\n0.608649 0.180736 0.996819 O\n0.997390 0.186291 0.609258 O\n0.997390 0.609258 0.186291 O\n",
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"formula_full": "Sr3 Nd10 Al12 Si18 N36 O18",
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{
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"created_at": "2022-09-04T14:47:04.658256Z",
"structure_string": "K4 Ca4 La4 W4 O24\n1.0\n8.560840 0.000000 0.000000\n0.000000 8.505566 0.000000\n0.000000 0.000000 8.500069\nK Ca La W O\n4 4 4 4 24\ndirect\n0.000000 0.500000 0.500000 K\n0.500000 0.000000 0.500000 K\n0.500000 0.000000 0.000000 K\n0.000000 0.500000 0.000000 K\n0.500000 0.500000 0.000000 Ca\n0.000000 0.000000 0.500000 Ca\n0.000000 -0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Ca\n0.750000 0.750000 0.750000 La\n0.250000 0.250000 0.750000 La\n0.250000 0.750000 0.250000 La\n0.750000 0.250000 0.250000 La\n0.250000 0.250000 0.250000 W\n0.750000 0.750000 0.250000 W\n0.750000 0.250000 0.750000 W\n0.250000 0.750000 0.750000 W\n0.024469 0.198270 0.286598 O\n0.975531 0.801730 0.286598 O\n0.975531 0.198270 0.713402 O\n0.024469 0.801730 0.713402 O\n0.276980 0.024932 0.214048 O\n0.276980 0.975068 0.785952 O\n0.723020 0.975068 0.214048 O\n0.723020 0.024932 0.785952 O\n0.210008 0.275001 0.024861 O\n0.789992 0.275001 0.975139 O\n0.210008 0.724999 0.975139 O\n0.789992 0.724999 0.024861 O\n0.475531 0.301730 0.213402 O\n0.524469 0.698270 0.213402 O\n0.524469 0.301730 0.786598 O\n0.475531 0.698270 0.786598 O\n0.223020 0.475068 0.285952 O\n0.223020 0.524932 0.714048 O\n0.776980 0.524932 0.285952 O\n0.776980 0.475068 0.714048 O\n0.289992 0.224999 0.475139 O\n0.710008 0.224999 0.524861 O\n0.289992 0.775001 0.524861 O\n0.710008 0.775001 0.475139 O\n",
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{
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{
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{
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{
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"structure_string": "Cs1 Na1 Mg14 O15\n1.0\n8.557319 0.000000 0.000000\n0.000000 8.870467 0.000000\n0.000000 0.000000 4.425278\nCs Na Mg O\n1 1 14 15\ndirect\n0.401250 0.500000 0.000000 Cs\n0.998478 0.000000 0.000000 Na\n0.975934 0.500000 0.000000 Mg\n0.510089 0.000000 0.000000 Mg\n0.002482 0.246157 0.500000 Mg\n0.002482 0.753843 0.500000 Mg\n0.509347 0.240932 0.500000 Mg\n0.509347 0.759068 0.500000 Mg\n0.252766 0.000000 0.500000 Mg\n0.230614 0.500000 0.500000 Mg\n0.760036 0.000000 0.500000 Mg\n0.745440 0.500000 0.500000 Mg\n0.250425 0.216060 0.000000 Mg\n0.250425 0.783940 0.000000 Mg\n0.746224 0.250133 0.000000 Mg\n0.746224 0.749867 0.000000 Mg\n0.263674 0.000000 0.000000 O\n0.745394 0.000000 0.000000 O\n0.751155 0.500000 0.000000 O\n0.255768 0.260251 0.500000 O\n0.255768 0.739749 0.500000 O\n0.757021 0.248052 0.500000 O\n0.757021 0.751948 0.500000 O\n0.011279 0.000000 0.500000 O\n0.003307 0.500000 0.500000 O\n0.499987 0.000000 0.500000 O\n0.513104 0.500000 0.500000 O\n0.020504 0.275835 -0.000000 O\n0.020504 0.724165 -0.000000 O\n0.501976 0.226781 0.000000 O\n0.501976 0.773219 0.000000 O\n",
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{
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0.172979 H\n0.530241 0.202195 0.723050 H\n0.469759 0.702195 0.776950 H\n0.469759 0.797805 0.276950 H\n0.530241 0.297805 0.223050 H\n0.574281 0.299357 0.721973 H\n0.425719 0.799357 0.778027 H\n0.425719 0.700643 0.278027 H\n0.574281 0.200643 0.221973 H\n0.721188 0.247538 0.673393 H\n0.278812 0.747538 0.826607 H\n0.278812 0.752462 0.326607 H\n0.721188 0.252462 0.173393 H\n0.669488 0.152013 0.667181 H\n0.330512 0.652013 0.832819 H\n0.330512 0.847987 0.332819 H\n0.669488 0.347987 0.167181 H\n0.700553 0.196369 0.582579 H\n0.299447 0.696369 0.917421 H\n0.299447 0.803631 0.417421 H\n0.700553 0.303631 0.082579 H\n0.181116 0.267582 0.417928 H\n0.818884 0.767582 0.082072 H\n0.818884 0.732418 0.582072 H\n0.181116 0.232418 0.917928 H\n0.123250 0.228032 0.493383 H\n0.876750 0.728032 0.006617 H\n0.876750 0.771968 0.506617 H\n0.123250 0.271968 0.993383 H\n0.219401 0.174627 0.457067 H\n0.780599 0.674627 0.042933 H\n0.780599 0.825373 0.542933 H\n0.219401 0.325373 0.957067 H\n0.148326 0.214346 0.291584 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H\n0.984201 0.882148 0.530838 H\n0.015799 0.382148 0.969162 H\n0.494961 0.181430 0.566776 C\n0.505039 0.681430 0.933224 C\n0.505039 0.818570 0.433224 C\n0.494961 0.318570 0.066776 C\n0.566543 0.311958 0.570145 C\n0.433457 0.811958 0.929855 C\n0.433457 0.688042 0.429855 C\n0.566543 0.188042 0.070145 C\n0.526145 0.255053 0.688662 C\n0.473855 0.755053 0.811338 C\n0.473855 0.744947 0.311338 C\n0.526145 0.244947 0.188662 C\n0.671886 0.206136 0.636176 C\n0.328114 0.706136 0.863824 C\n0.328114 0.793864 0.363824 C\n0.671886 0.293864 0.136176 C\n0.155089 0.214994 0.441871 C\n0.844911 0.714994 0.058129 C\n0.844911 0.785006 0.558129 C\n0.155089 0.285006 0.941871 C\n0.114880 0.161615 0.309701 C\n0.885120 0.661615 0.190299 C\n0.885120 0.838385 0.690299 C\n0.114880 0.338385 0.809701 C\n0.982886 0.232307 0.360702 C\n0.017114 0.732307 0.139298 C\n0.017114 0.767693 0.639298 C\n0.982886 0.267693 0.860702 C\n0.038294 0.105124 0.413728 C\n0.961706 0.605124 0.086272 C\n0.961706 0.894876 0.586272 C\n0.038294 0.394876 0.913728 C\n0.967594 0.063539 0.086053 Se\n0.032406 0.563539 0.413947 Se\n0.032406 0.936461 0.913947 Se\n0.967594 0.436461 0.586053 Se\n0.117097 0.067684 0.040253 Se\n0.882903 0.567684 0.459747 Se\n0.882903 0.932316 0.959747 Se\n0.117097 0.432316 0.540253 Se\n0.684288 0.921726 0.179110 Se\n0.315712 0.421726 0.320890 Se\n0.315712 0.078274 0.820890 Se\n0.684288 0.578274 0.679110 Se\n0.719272 0.041547 0.370664 Se\n0.280728 0.541547 0.129336 Se\n0.280728 0.958453 0.629336 Se\n0.719272 0.458453 0.870664 Se\n0.955979 0.912124 0.294872 Se\n0.044021 0.412124 0.205128 Se\n0.044021 0.087876 0.705128 Se\n0.955979 0.587876 0.794872 Se\n0.527744 0.995087 0.253078 Se\n0.472256 0.495087 0.246922 Se\n0.472256 0.004913 0.746922 Se\n0.527744 0.504913 0.753078 Se\n0.853053 0.156424 0.009565 Br\n0.146947 0.656424 0.490435 Br\n0.146947 0.843576 0.990435 Br\n0.853053 0.343576 0.509565 Br\n0.217428 0.163883 0.121282 Br\n0.782572 0.663883 0.378718 Br\n0.782572 0.836117 0.878718 Br\n0.217428 0.336117 0.621282 Br\n0.647738 0.964104 0.045461 Br\n0.352262 0.464104 0.454539 Br\n0.352262 0.035896 0.954539 Br\n0.647738 0.535896 0.545461 Br\n0.613684 0.792658 0.153479 Br\n0.386316 0.292658 0.346521 Br\n0.386316 0.207342 0.846521 Br\n0.613684 0.707342 0.653479 Br\n0.796640 0.057316 0.228694 Br\n0.203360 0.557316 0.271306 Br\n0.203360 0.942684 0.771306 Br\n0.796640 0.442684 0.728694 Br\n0.767181 0.888309 0.343651 Br\n0.232819 0.388309 0.156349 Br\n0.232819 0.111691 0.656349 Br\n0.767181 0.611691 0.843651 Br\n0.672157 0.006510 0.493390 Br\n0.327843 0.506510 0.006610 Br\n0.327843 0.993490 0.506610 Br\n0.672157 0.493490 0.993390 Br\n0.696580 0.181100 0.387194 Br\n0.303420 0.681100 0.112806 Br\n0.303420 0.818900 0.612806 Br\n0.696580 0.318900 0.887194 Br\n0.040746 0.810096 0.373057 Br\n0.959254 0.310096 0.126943 Br\n0.959254 0.189904 0.626943 Br\n0.040746 0.689904 0.873057 Br\n0.099581 0.945993 0.231491 Br\n0.900419 0.445993 0.268509 Br\n0.900419 0.054007 0.768509 Br\n0.099581 0.554007 0.731491 Br\n0.417238 0.064528 0.328838 Br\n0.582762 0.564528 0.171162 Br\n0.582762 0.935472 0.671162 Br\n0.417238 0.435472 0.828838 Br\n0.385055 0.945458 0.154545 Br\n0.614945 0.445458 0.345455 Br\n0.614945 0.054542 0.845455 Br\n0.385055 0.554542 0.654545 Br\n0.564791 0.238718 0.615280 N\n0.435209 0.738718 0.884720 N\n0.435209 0.761282 0.384720 N\n0.564791 0.261282 0.115280 N\n0.072748 0.178441 0.381464 N\n0.927252 0.678441 0.118536 N\n0.927252 0.821559 0.618536 N\n0.072748 0.321559 0.881464 N\n",
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{
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{
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}