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{
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{
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"structure_string": "Te2 C8 S8 N16 Cl4 O4\n1.0\n13.903142 0.000000 0.000000\n0.000000 6.820780 0.000000\n0.000000 1.911301 9.576127\nTe C S N Cl O\n2 8 8 16 4 4\ndirect\n0.500000 0.000000 0.500000 Te\n0.000000 0.000000 0.000000 Te\n0.698776 0.929561 0.579518 C\n0.198776 0.070439 0.920482 C\n0.301224 0.070439 0.420482 C\n0.801224 0.929561 0.079518 C\n0.540929 0.821000 0.843477 C\n0.040929 0.179000 0.656523 C\n0.459071 0.179000 0.156523 C\n0.959071 0.821000 0.343477 C\n0.691293 0.210661 0.515413 S\n0.191293 0.789339 0.984587 S\n0.308707 0.789339 0.484587 S\n0.808707 0.210661 0.015413 S\n0.551050 0.184887 0.699908 S\n0.051050 0.815113 0.800092 S\n0.448950 0.815113 0.300092 S\n0.948950 0.184887 0.199908 S\n0.627298 0.838988 0.530746 N\n0.127298 0.161012 0.969254 N\n0.372702 0.161012 0.469254 N\n0.872702 0.838988 0.030746 N\n0.779076 0.890414 0.649967 N\n0.279076 0.109586 0.850033 N\n0.220924 0.109586 0.350033 N\n0.720924 0.890414 0.149967 N\n0.551773 0.013331 0.834359 N\n0.051773 0.986669 0.665641 N\n0.448227 0.986669 0.165641 N\n0.948227 0.013331 0.334359 N\n0.529606 0.646758 0.855817 N\n0.029606 0.353242 0.644183 N\n0.470394 0.353242 0.144183 N\n0.970394 0.646758 0.355817 N\n0.796051 0.652357 0.736497 Cl\n0.296051 0.347643 0.763503 Cl\n0.203949 0.347643 0.263503 Cl\n0.703949 0.652357 0.236497 Cl\n0.724435 0.318871 0.055147 O\n0.224435 0.681129 0.444853 O\n0.275565 0.681129 0.944853 O\n0.775565 0.318871 0.555147 O\n",
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{
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{
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{
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"structure_string": "Tc3 H36 C12 S6 Cl12 O6\n1.0\n9.168869 0.000000 0.000000\n-0.219425 9.434004 0.000000\n-2.940181 -3.852020 13.615817\nTc H C S Cl O\n3 36 12 6 12 6\ndirect\n0.500000 0.500000 0.500000 Tc\n0.842473 0.795123 0.143985 Tc\n0.157527 0.204877 0.856015 Tc\n0.462845 0.830557 0.950797 H\n0.537155 0.169443 0.049203 H\n0.407930 0.693596 0.833575 H\n0.592070 0.306404 0.166425 H\n0.391186 0.647118 0.944830 H\n0.608814 0.352882 0.055170 H\n0.703319 0.416074 0.854940 H\n0.296681 0.583926 0.145060 H\n0.523808 0.414988 0.890029 H\n0.476192 0.585012 0.109971 H\n0.540681 0.467254 0.780704 H\n0.459319 0.532746 0.219296 H\n0.993357 0.338666 0.156136 H\n0.006643 0.661334 0.843864 H\n0.074367 0.346982 0.282955 H\n0.925633 0.653018 0.717045 H\n0.874253 0.348981 0.243231 H\n0.125747 0.651019 0.756769 H\n0.998595 0.736910 0.417175 H\n0.001405 0.263090 0.582825 H\n0.873765 0.572034 0.387909 H\n0.126235 0.427966 0.612091 H\n0.075245 0.566040 0.427015 H\n0.924755 0.433960 0.572985 H\n0.387467 0.990853 0.177927 H\n0.612533 0.009147 0.822073 H\n0.393097 0.877602 0.261887 H\n0.606903 0.122398 0.738113 H\n0.402061 0.076775 0.307065 H\n0.597939 0.923225 0.692935 H\n0.794993 0.988769 0.418674 H\n0.205007 0.011231 0.581326 H\n0.629488 0.079291 0.441317 H\n0.370512 0.920709 0.558683 H\n0.621538 0.878744 0.400146 H\n0.378462 0.121256 0.599854 H\n0.455528 0.713023 0.912549 C\n0.544472 0.286977 0.087451 C\n0.597422 0.467907 0.855637 C\n0.402578 0.532093 0.144363 C\n0.984029 0.381655 0.232748 C\n0.015971 0.618345 0.767252 C\n0.985098 0.617004 0.387545 C\n0.014902 0.382996 0.612455 C\n0.431821 0.982774 0.252749 C\n0.568179 0.017226 0.747251 C\n0.672798 0.982946 0.396780 C\n0.327202 0.017054 0.603220 C\n0.642007 0.656306 0.923823 S\n0.357993 0.343694 0.076177 S\n0.009191 0.578260 0.263708 S\n0.990809 0.421740 0.736292 S\n0.631252 0.995184 0.272697 S\n0.368748 0.004816 0.727303 S\n0.708594 0.677768 0.564933 Cl\n0.291406 0.322232 0.435067 Cl\n0.613211 0.379652 0.367304 Cl\n0.386789 0.620348 0.632696 Cl\n0.618866 0.345438 0.594695 Cl\n0.381134 0.654562 0.405305 Cl\n0.033164 0.717779 0.063986 Cl\n0.966836 0.282221 0.936014 Cl\n0.003969 0.949444 0.280141 Cl\n0.996031 0.050556 0.719859 Cl\n0.787881 0.980579 0.066539 Cl\n0.212119 0.019421 0.933461 Cl\n0.685791 0.646484 0.032366 O\n0.314209 0.353516 0.967634 O\n0.859238 0.619320 0.206158 O\n0.140762 0.380680 0.793842 O\n0.659928 0.839089 0.210612 O\n0.340072 0.160911 0.789388 O\n",
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],
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"formula_full": "Tc3 H36 C12 S6 Cl12 O6",
"formula_reduced": "TcH12C4S2(Cl2O)2",
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"updated_at": "2021-11-28T01:38:11.238000Z",
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},
{
"id": "mp-1203992",
"created_at": "2022-09-04T14:48:20.318646Z",
"structure_string": "Tb4 H8 C8 S4 N4 O36\n1.0\n8.726311 0.000000 0.000000\n0.000000 6.642055 0.000000\n0.000000 6.125172 14.219066\nTb H C S N O\n4 8 8 4 4 36\ndirect\n0.734597 0.331214 0.416748 Tb\n0.765403 0.331214 0.916748 Tb\n0.265403 0.668786 0.583252 Tb\n0.234597 0.668786 0.083252 Tb\n0.894771 0.195667 0.596504 H\n0.605229 0.195667 0.096504 H\n0.105229 0.804333 0.403496 H\n0.394771 0.804333 0.903496 H\n0.037334 0.248889 0.531123 H\n0.462666 0.248889 0.031123 H\n0.962666 0.751111 0.468877 H\n0.537334 0.751111 0.968877 H\n0.025138 0.613790 0.272973 C\n0.474862 0.613790 0.772973 C\n0.974862 0.386210 0.727027 C\n0.525138 0.386210 0.227027 C\n0.020049 0.338724 0.263974 C\n0.479951 0.338724 0.763974 C\n0.979951 0.661276 0.736026 C\n0.520049 0.661276 0.236026 C\n0.334073 0.267691 0.472928 S\n0.165927 0.267691 0.972928 S\n0.665927 0.732309 0.527072 S\n0.834073 0.732309 0.027072 S\n0.829851 0.051553 0.181183 N\n0.670149 0.051553 0.681183 N\n0.170149 0.948447 0.818817 N\n0.329851 0.948447 0.318817 N\n0.504380 0.276731 0.483316 O\n0.995620 0.276731 0.983316 O\n0.495620 0.723269 0.516684 O\n0.004380 0.723269 0.016684 O\n0.259404 0.414895 0.513257 O\n0.240596 0.414895 0.013257 O\n0.740596 0.585105 0.486743 O\n0.759404 0.585105 0.986743 O\n0.291398 0.335518 0.374159 O\n0.208602 0.335518 0.874159 O\n0.708602 0.664482 0.625841 O\n0.791398 0.664482 0.125841 O\n0.280058 0.041156 0.530888 O\n0.219942 0.041156 0.030888 O\n0.719942 0.958844 0.469112 O\n0.780058 0.958844 0.969112 O\n0.939302 0.610852 0.336446 O\n0.560698 0.610852 0.836446 O\n0.060698 0.389148 0.663554 O\n0.439302 0.389148 0.163554 O\n0.932960 0.218799 0.324159 O\n0.567040 0.218799 0.824159 O\n0.067040 0.781201 0.675841 O\n0.432960 0.781201 0.175841 O\n0.104700 0.343474 0.200103 O\n0.395300 0.343474 0.700103 O\n0.895300 0.656526 0.799897 O\n0.604700 0.656526 0.299897 O\n0.114090 0.735382 0.214765 O\n0.385910 0.735382 0.714765 O\n0.885910 0.264618 0.785235 O\n0.614090 0.264618 0.285235 O\n0.928182 0.210686 0.534178 O\n0.571818 0.210686 0.034178 O\n0.071818 0.789314 0.465822 O\n0.428182 0.789314 0.965822 O\n",
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}
]
}