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{
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{
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{
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{
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{
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"created_at": "2022-09-04T14:41:51.288941Z",
"structure_string": "Cs8 Bi2 Sb2 Cl24\n1.0\n-5.422169 5.422169 10.889924\n5.422169 -5.422169 10.889924\n5.422169 5.422169 -10.889924\nCs Bi Sb Cl\n8 2 2 24\ndirect\n0.375000 0.844638 0.969638 Cs\n0.594638 0.625000 0.469638 Cs\n0.875000 0.844638 0.469638 Cs\n0.594638 0.125000 0.969638 Cs\n0.875000 0.405362 0.030362 Cs\n0.155362 0.125000 0.530362 Cs\n0.375000 0.405362 0.530362 Cs\n0.155362 0.625000 0.030362 Cs\n0.500000 0.500000 0.000000 Bi\n0.250000 0.750000 0.500000 Bi\n0.000000 0.000000 0.000000 Sb\n0.750000 0.250000 0.500000 Sb\n0.747409 0.495492 0.251917 Cl\n0.504508 0.252591 0.748083 Cl\n0.374639 0.374639 0.000000 Cl\n0.124639 0.624639 0.500000 Cl\n0.375361 0.875361 0.500000 Cl\n0.625361 0.625361 0.000000 Cl\n0.111073 0.111073 0.000000 Cl\n0.861073 0.361073 0.500000 Cl\n0.638927 0.138927 0.500000 Cl\n0.888927 0.888927 0.000000 Cl\n0.223945 0.000499 0.223446 Cl\n0.750499 0.027053 0.276554 Cl\n0.504508 0.756424 0.251917 Cl\n0.526055 0.249501 0.276554 Cl\n0.972947 0.249501 0.723446 Cl\n0.999501 0.222947 0.223446 Cl\n0.999501 0.776055 0.776554 Cl\n0.777053 0.000499 0.776554 Cl\n0.750499 0.473945 0.723446 Cl\n0.245492 0.493576 0.248083 Cl\n0.245492 0.997409 0.751917 Cl\n0.002591 0.754508 0.248083 Cl\n0.506424 0.754508 0.751917 Cl\n0.243576 0.495492 0.748083 Cl\n",
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{
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"structure_string": "K8 Pd12 S8\n1.0\n8.243487 0.000000 0.000000\n4.121744 5.241829 0.000000\n4.121744 0.000000 15.921045\nK Pd S\n8 12 8\ndirect\n0.647772 0.158308 0.093503 K\n0.258725 0.841692 0.093503 K\n0.193920 0.158308 0.906497 K\n0.102228 0.341692 0.406497 K\n0.899583 0.841692 0.906497 K\n0.491275 0.658308 0.406497 K\n0.556080 0.341692 0.593503 K\n0.850417 0.658308 0.593503 K\n0.509211 0.249258 0.786038 Pd\n0.704751 0.750742 0.786038 Pd\n0.241531 0.249258 0.213962 Pd\n0.240789 0.250742 0.713962 Pd\n0.544507 0.750742 0.213962 Pd\n0.045249 0.749258 0.713962 Pd\n0.508469 0.250742 0.286038 Pd\n0.205493 0.749258 0.286038 Pd\n0.875000 0.250000 0.250000 Pd\n0.875000 0.750000 0.250000 Pd\n0.875000 0.250000 0.750000 Pd\n0.375000 0.750000 0.750000 Pd\n0.831120 0.457965 0.117224 S\n0.051655 0.542035 0.117224 S\n0.710914 0.457965 0.882776 S\n0.918880 0.042035 0.382776 S\n0.406310 0.542035 0.882776 S\n0.698345 0.957965 0.382776 S\n0.039086 0.042035 0.617224 S\n0.343690 0.957965 0.617224 S\n",
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{
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},
{
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"formula_full": "Hg24 Te8 O48",
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},
{
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"structure_string": "Hg4 H96 C32 I16 N8\n1.0\n9.966765 0.000000 0.000000\n0.000000 13.734902 0.000000\n0.000000 0.000000 17.242719\nHg H C I N\n4 96 32 16 8\ndirect\n0.999247 0.504360 0.595288 Hg\n0.000753 0.004360 0.904712 Hg\n0.500753 0.495640 0.095288 Hg\n0.499247 0.995640 0.404712 Hg\n0.469287 0.621165 0.851405 H\n0.031865 0.583870 0.105395 H\n0.841873 0.322356 0.370025 H\n0.109391 0.471600 0.815525 H\n0.672999 0.187715 0.683213 H\n0.687478 0.131296 0.139876 H\n0.363096 0.833055 0.758633 H\n0.478496 0.600890 0.522526 H\n0.863096 0.666945 0.241367 H\n0.390609 0.528400 0.315525 H\n0.032772 0.626681 0.253642 H\n0.521504 0.100890 0.977474 H\n0.986244 0.748966 0.279735 H\n0.189797 0.698413 0.104467 H\n0.327001 0.687715 0.816787 H\n0.158127 0.822356 0.129975 H\n0.030713 0.378835 0.351405 H\n0.827001 0.812285 0.183213 H\n0.801826 0.235348 0.296566 H\n0.508968 0.220440 0.018126 H\n0.355275 0.157483 0.189320 H\n0.901546 0.254876 0.882327 H\n0.144725 0.842517 0.689320 H\n0.102210 0.000876 0.525968 H\n0.343375 0.649177 0.466592 H\n0.397790 0.999124 0.025968 H\n0.967228 0.126681 0.246358 H\n0.136904 0.166945 0.258633 H\n0.718341 0.651784 0.405768 H\n0.658127 0.677644 0.870025 H\n0.812522 0.868704 0.639876 H\n0.062068 0.351016 0.787288 H\n0.198174 0.735348 0.203434 H\n0.310203 0.301587 0.604467 H\n0.698174 0.764652 0.796566 H\n0.098454 0.754876 0.617673 H\n0.532879 0.323669 0.541310 H\n0.021504 0.399110 0.022526 H\n0.602210 0.499124 0.474032 H\n0.968135 0.083870 0.394605 H\n0.468135 0.416130 0.605395 H\n0.483701 0.450325 0.405861 H\n0.647650 0.486256 0.374192 H\n0.187478 0.368704 0.860124 H\n0.156625 0.350823 0.966592 H\n0.128236 0.307820 0.417411 H\n0.852350 0.513744 0.874192 H\n0.609391 0.028400 0.184475 H\n0.843375 0.850823 0.533408 H\n0.532772 0.873319 0.746358 H\n0.656625 0.149177 0.033408 H\n0.486244 0.751034 0.720265 H\n0.341873 0.177644 0.629975 H\n0.218341 0.848216 0.594232 H\n0.358890 0.880000 0.887886 H\n0.983701 0.049675 0.594139 H\n0.371764 0.692180 0.917411 H\n0.467121 0.823669 0.958690 H\n0.636904 0.333055 0.741367 H\n0.032879 0.176331 0.458690 H\n0.978496 0.899110 0.477474 H\n0.781659 0.348216 0.905768 H\n0.467228 0.373319 0.753642 H\n0.890609 0.971600 0.684475 H\n0.598454 0.745124 0.382327 H\n0.513756 0.251034 0.779735 H\n0.530713 0.121165 0.648595 H\n0.628236 0.192180 0.582589 H\n0.147650 0.013744 0.625808 H\n0.562068 0.148984 0.212712 H\n0.641110 0.380000 0.612114 H\n0.991032 0.779560 0.518126 H\n0.516299 0.950325 0.094139 H\n0.016299 0.549675 0.905861 H\n0.531865 0.916130 0.894605 H\n0.301826 0.264652 0.703434 H\n0.491032 0.720440 0.481874 H\n0.644725 0.657483 0.310680 H\n0.871764 0.807820 0.082589 H\n0.312522 0.631296 0.360124 H\n0.810203 0.198413 0.395533 H\n0.013756 0.248966 0.220265 H\n0.967121 0.676331 0.041310 H\n0.858890 0.620000 0.112114 H\n0.352350 0.986256 0.125808 H\n0.401546 0.245124 0.117673 H\n0.172999 0.312285 0.316787 H\n0.689797 0.801587 0.895533 H\n0.281659 0.151784 0.094232 H\n0.937932 0.851016 0.712712 H\n0.141110 0.120000 0.387886 H\n0.855275 0.342517 0.810680 H\n0.897790 0.500876 0.974032 H\n0.008968 0.279560 0.981874 H\n0.969287 0.878835 0.148595 H\n0.437932 0.648984 0.287288 H\n0.539101 0.355466 0.599991 C\n0.565292 0.502512 0.414215 C\n0.627712 0.669271 0.372773 C\n0.353464 0.253473 0.648121 C\n0.872288 0.330729 0.872773 C\n0.960899 0.644534 0.099991 C\n0.594193 0.103080 0.164316 C\n0.065292 0.997488 0.585785 C\n0.531473 0.311390 0.738929 C\n0.934708 0.497488 0.914215 C\n0.094193 0.396920 0.835684 C\n0.452184 0.646531 0.473044 C\n0.460899 0.855466 0.900009 C\n0.039101 0.144534 0.400009 C\n0.547816 0.146531 0.026956 C\n0.089753 0.312053 0.358004 C\n0.646536 0.753473 0.851879 C\n0.905807 0.896920 0.664316 C\n0.589753 0.187947 0.641996 C\n0.146536 0.746527 0.148121 C\n0.853464 0.246527 0.351879 C\n0.405807 0.603080 0.335684 C\n0.047816 0.353469 0.973044 C\n0.434708 0.002512 0.085785 C\n0.952184 0.853469 0.526956 C\n0.468527 0.811390 0.761071 C\n0.031473 0.188610 0.261071 C\n0.372288 0.169271 0.127227 C\n0.910247 0.812053 0.141996 C\n0.127712 0.830729 0.627227 C\n0.968527 0.688610 0.238929 C\n0.410247 0.687947 0.858004 C\n0.001593 0.074221 0.060883 I\n0.998407 0.574221 0.439117 I\n0.501593 0.425779 0.939117 I\n0.495992 0.204163 0.393644 I\n0.736677 0.424540 0.170662 I\n0.237724 0.575170 0.669341 I\n0.504008 0.704163 0.106356 I\n0.737724 0.924830 0.330659 I\n0.263323 0.924540 0.329338 I\n0.262276 0.424830 0.169341 I\n0.498407 0.925779 0.560883 I\n0.763323 0.575460 0.670662 I\n0.995992 0.295837 0.606356 I\n0.004008 0.795837 0.893644 I\n0.762276 0.075170 0.830659 I\n0.236677 0.075460 0.829338 I\n0.987040 0.395350 0.898993 N\n0.012960 0.895350 0.601007 N\n0.997722 0.723389 0.157417 N\n0.497722 0.776611 0.842583 N\n0.002278 0.223389 0.342583 N\n0.512960 0.604650 0.398993 N\n0.502278 0.276611 0.657417 N\n0.487040 0.104650 0.101007 N\n",
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}
]
}