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{
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{
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{
"id": "mp-559704",
"created_at": "2022-09-04T14:42:20.322440Z",
"structure_string": "P4 H36 C12 S8 N4 Cl4 O16\n1.0\n22.593440 0.000000 0.000000\n0.000000 5.752495 0.000000\n0.000000 5.276174 8.196510\nP H C S N Cl O\n4 36 12 8 4 4 16\ndirect\n0.424787 0.726454 0.795858 P\n0.075213 0.726454 0.295858 P\n0.575213 0.273546 0.204142 P\n0.924787 0.273546 0.704142 P\n0.911292 0.382767 0.434195 H\n0.568240 0.036479 0.750070 H\n0.289164 0.631571 0.225854 H\n0.931760 0.036479 0.250070 H\n0.848597 0.513216 0.485529 H\n0.258921 0.807692 0.786974 H\n0.643629 0.146828 0.068001 H\n0.151403 0.486784 0.514471 H\n0.752696 0.050640 0.428422 H\n0.466473 0.742001 0.445224 H\n0.252696 0.949360 0.071578 H\n0.789164 0.368429 0.274146 H\n0.247304 0.949360 0.571578 H\n0.604164 0.355264 0.597763 H\n0.411292 0.617233 0.065805 H\n0.241079 0.807692 0.286974 H\n0.033527 0.742001 0.945224 H\n0.356371 0.853172 0.931999 H\n0.966473 0.257999 0.054776 H\n0.104164 0.644736 0.902237 H\n0.758921 0.192308 0.713026 H\n0.710836 0.368429 0.774146 H\n0.210836 0.631571 0.725854 H\n0.651403 0.513216 0.985529 H\n0.588708 0.382767 0.934195 H\n0.395836 0.644736 0.402237 H\n0.741079 0.192308 0.213026 H\n0.431760 0.963521 0.249930 H\n0.143629 0.853172 0.431999 H\n0.747304 0.050640 0.928422 H\n0.533527 0.257999 0.554776 H\n0.856371 0.146828 0.568001 H\n0.088708 0.617233 0.565805 H\n0.895836 0.355264 0.097763 H\n0.348597 0.486784 0.014471 H\n0.068240 0.963521 0.749930 H\n0.879613 0.340649 0.530687 C\n0.075883 0.815775 0.880849 C\n0.120387 0.659351 0.469313 C\n0.249439 0.761087 0.193690 C\n0.250561 0.761087 0.693690 C\n0.424117 0.815775 0.380849 C\n0.620387 0.340649 0.030687 C\n0.749439 0.238913 0.306310 C\n0.924117 0.184225 0.119151 C\n0.575883 0.184225 0.619151 C\n0.379613 0.659351 0.969313 C\n0.750561 0.238913 0.806310 C\n0.112468 0.003525 0.951896 S\n0.808942 0.446203 0.804199 S\n0.191058 0.553797 0.195801 S\n0.887532 0.996475 0.048104 S\n0.308942 0.553797 0.695801 S\n0.691058 0.446203 0.304199 S\n0.612468 0.996475 0.548104 S\n0.387532 0.003525 0.451896 S\n0.128408 0.759318 0.154929 N\n0.371592 0.759318 0.654929 N\n0.628408 0.240682 0.345071 N\n0.871592 0.240682 0.845071 N\n0.459394 0.327049 0.890027 Cl\n0.540606 0.672951 0.109973 Cl\n0.959394 0.672951 0.609973 Cl\n0.040606 0.327049 0.390027 Cl\n0.301887 0.511713 0.563654 O\n0.683134 0.683853 0.140729 O\n0.929062 0.806992 0.046751 O\n0.668367 0.893420 0.631064 O\n0.429062 0.193008 0.453249 O\n0.570938 0.806992 0.546751 O\n0.183134 0.316147 0.359271 O\n0.070938 0.193008 0.953249 O\n0.316866 0.316147 0.859271 O\n0.801887 0.488287 0.936346 O\n0.331633 0.106580 0.368936 O\n0.698113 0.488287 0.436346 O\n0.198113 0.511713 0.063654 O\n0.831633 0.893420 0.131064 O\n0.816866 0.683853 0.640729 O\n0.168367 0.106580 0.868936 O\n",
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"formula_full": "P4 H36 C12 S8 N4 Cl4 O16",
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{
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"structure_string": "Tb8 Cr8 O40\n1.0\n-5.842668 0.000000 5.844094\n-5.827818 0.000000 -5.985303\n0.000000 -11.557791 0.000000\nTb Cr O\n8 8 40\ndirect\n0.132867 0.333442 0.940163 Tb\n0.367133 0.166558 0.440163 Tb\n0.867133 0.666558 0.059837 Tb\n0.632867 0.833442 0.559837 Tb\n0.569721 0.321225 0.922417 Tb\n0.930279 0.178775 0.422417 Tb\n0.430279 0.678775 0.077583 Tb\n0.069721 0.821225 0.577583 Tb\n0.363009 0.500428 0.673311 Cr\n0.136991 0.999572 0.173311 Cr\n0.636991 0.499572 0.326689 Cr\n0.863009 0.000428 0.826689 Cr\n0.861253 0.456555 0.689737 Cr\n0.638747 0.043445 0.189737 Cr\n0.138747 0.543445 0.310263 Cr\n0.361253 0.956555 0.810263 Cr\n0.343495 0.434464 0.811751 O\n0.156505 0.065536 0.311751 O\n0.656505 0.565536 0.188249 O\n0.843495 0.934464 0.688249 O\n0.193352 0.583926 0.631619 O\n0.306648 0.916074 0.131619 O\n0.806648 0.416074 0.368381 O\n0.693352 0.083926 0.868381 O\n0.504784 0.639851 0.667577 O\n0.995216 0.860149 0.167577 O\n0.495216 0.360149 0.332423 O\n0.004784 0.139851 0.832423 O\n0.403657 0.348728 0.586086 O\n0.096343 0.151272 0.086086 O\n0.596343 0.651272 0.413914 O\n0.903657 0.848728 0.913914 O\n0.686177 0.393302 0.740758 O\n0.813823 0.106698 0.240758 O\n0.313823 0.606698 0.259242 O\n0.186177 0.893302 0.759242 O\n0.842240 0.634327 0.620035 O\n0.657760 0.865673 0.120035 O\n0.157760 0.365673 0.379965 O\n0.342240 0.134327 0.879965 O\n0.981751 0.480022 0.806214 O\n0.518249 0.019978 0.306214 O\n0.018249 0.519978 0.193786 O\n0.481751 0.980022 0.693786 O\n0.927598 0.320532 0.598266 O\n0.572402 0.179468 0.098266 O\n0.072402 0.679468 0.401734 O\n0.427598 0.820532 0.901734 O\n0.356345 0.419748 0.041225 O\n0.143655 0.080252 0.541225 O\n0.643655 0.580252 0.958775 O\n0.856345 0.919748 0.458775 O\n0.160162 0.598726 0.014284 O\n0.339838 0.901274 0.514284 O\n0.839838 0.401274 0.985716 O\n0.660162 0.098726 0.485716 O\n",
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{
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"structure_string": "Li8 V4 As4 C4 O28\n1.0\n0.000018 6.597809 0.000014\n0.476029 0.000023 10.211037\n8.782921 0.000025 0.184753\nLi V As C O\n8 4 4 4 28\ndirect\n0.506788 0.108080 0.205641 Li\n0.506777 0.607947 0.205508 Li\n0.993228 0.108087 0.205639 Li\n0.993233 0.607947 0.205498 Li\n0.493236 0.391884 0.794295 Li\n0.493240 0.892018 0.794492 Li\n0.006774 0.391866 0.794309 Li\n0.006758 0.892012 0.794495 Li\n0.749981 0.898336 0.335102 V\n0.250007 0.601641 0.664820 V\n0.750022 0.398299 0.335101 V\n0.250007 0.101689 0.664864 V\n0.249990 0.358962 0.417842 As\n0.249978 0.858747 0.418075 As\n0.750014 0.140991 0.582105 As\n0.750004 0.641254 0.581942 As\n0.750001 0.365559 0.055873 C\n0.750009 0.865744 0.055919 C\n0.250015 0.134514 0.944126 C\n0.250002 0.634224 0.944039 C\n0.250010 0.152389 0.085207 O\n0.250009 0.652298 0.085080 O\n0.750003 0.347654 0.914825 O\n0.750000 0.847692 0.914885 O\n0.749982 0.482625 0.109803 O\n0.750006 0.982798 0.109696 O\n0.250014 0.017508 0.890217 O\n0.250000 0.517170 0.890272 O\n0.750024 0.267141 0.163021 O\n0.750002 0.767194 0.163037 O\n0.249992 0.232893 0.836974 O\n0.250003 0.732768 0.836910 O\n0.750017 0.082182 0.401976 O\n0.750005 0.582140 0.402035 O\n0.249991 0.417810 0.597946 O\n0.250006 0.917835 0.597991 O\n0.249999 0.191138 0.443594 O\n0.249956 0.690880 0.443234 O\n0.750006 0.308838 0.556506 O\n0.750053 0.809102 0.556667 O\n0.047226 0.415538 0.310389 O\n0.047190 0.915917 0.311212 O\n0.452774 0.415524 0.310460 O\n0.452842 0.915907 0.311217 O\n0.547220 0.084489 0.689621 O\n0.547164 0.584146 0.688889 O\n0.952704 0.084459 0.689722 O\n0.952739 0.584164 0.688928 O\n",
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{
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"structure_string": "Sr1 Hg1 O2\n1.0\n6.512742 -1.949917 0.000000\n6.512742 1.949917 0.000000\n5.928936 0.000000 3.326515\nSr Hg O\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Hg\n0.896014 0.896014 0.896014 O\n0.103986 0.103986 0.103986 O\n",
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