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{
"id": "mp-732271",
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"structure_string": "Sn4 C4 S4 N8 Cl8\n1.0\n15.397197 0.000000 0.000000\n0.000000 6.018967 0.000000\n0.000000 2.334373 8.329373\nSn C S N Cl\n4 4 4 8 8\ndirect\n0.755927 0.104748 0.128720 Sn\n0.255927 0.895252 0.371280 Sn\n0.244073 0.895252 0.871280 Sn\n0.744073 0.104748 0.628720 Sn\n0.551277 0.271847 0.302618 C\n0.051277 0.728153 0.197382 C\n0.448723 0.728153 0.697382 C\n0.948723 0.271847 0.802618 C\n0.604396 0.040245 0.383085 S\n0.104396 0.959755 0.116915 S\n0.395604 0.959755 0.616915 S\n0.895604 0.040245 0.883085 S\n0.481854 0.385135 0.210356 N\n0.981854 0.614865 0.289644 N\n0.518146 0.614865 0.789644 N\n0.018146 0.385135 0.710356 N\n0.536841 0.508935 0.266293 N\n0.036841 0.491065 0.233707 N\n0.463159 0.491065 0.733707 N\n0.963159 0.508935 0.766293 N\n0.637739 0.110723 0.918264 Cl\n0.137739 0.889277 0.581736 Cl\n0.362261 0.889277 0.081736 Cl\n0.862261 0.110723 0.418264 Cl\n0.763660 0.530252 0.053255 Cl\n0.263660 0.469748 0.446745 Cl\n0.236340 0.469748 0.946745 Cl\n0.736340 0.530252 0.553255 Cl\n",
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{
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{
"id": "mp-734438",
"created_at": "2022-09-04T14:39:49.840557Z",
"structure_string": "Ta12 C12 N12 Cl24 O24\n1.0\n0.000000 9.971285 9.971285\n9.971285 0.000000 9.971285\n9.971285 9.971285 0.000000\nTa C N Cl O\n12 12 12 24 24\ndirect\n0.357850 0.357850 0.142150 Ta\n0.142150 0.357850 0.142150 Ta\n0.142150 0.357850 0.357850 Ta\n0.892150 0.892150 0.107850 Ta\n0.107850 0.892150 0.107850 Ta\n0.107850 0.892150 0.892150 Ta\n0.142150 0.142150 0.357850 Ta\n0.357850 0.142150 0.142150 Ta\n0.107850 0.107850 0.892150 Ta\n0.892150 0.107850 0.107850 Ta\n0.357850 0.142150 0.357850 Ta\n0.892150 0.107850 0.892150 Ta\n0.467575 0.467575 0.032425 C\n0.032425 0.467575 0.032425 C\n0.032425 0.467575 0.467575 C\n0.782425 0.782425 0.217575 C\n0.217575 0.782425 0.217575 C\n0.217575 0.782425 0.782425 C\n0.032425 0.032425 0.467575 C\n0.467575 0.032425 0.032425 C\n0.217575 0.217575 0.782425 C\n0.782425 0.217575 0.217575 C\n0.467575 0.032425 0.467575 C\n0.782425 0.217575 0.782425 C\n0.526410 0.526410 0.973590 N\n0.973590 0.526410 0.973590 N\n0.973590 0.526410 0.526410 N\n0.723590 0.723590 0.276410 N\n0.276410 0.723590 0.276410 N\n0.276410 0.723590 0.723590 N\n0.973590 0.973590 0.526410 N\n0.526410 0.973590 0.973590 N\n0.276410 0.276410 0.723590 N\n0.723590 0.276410 0.276410 N\n0.526410 0.973590 0.526410 N\n0.723590 0.276410 0.723590 N\n0.250670 0.491517 0.004421 Cl\n0.004421 0.491517 0.253392 Cl\n0.253392 0.491517 0.250670 Cl\n0.999330 0.758483 0.996608 Cl\n0.996608 0.758483 0.245579 Cl\n0.245579 0.758483 0.999330 Cl\n0.004421 0.253392 0.250670 Cl\n0.253392 0.250670 0.004421 Cl\n0.250670 0.004421 0.253392 Cl\n0.996608 0.245579 0.999330 Cl\n0.245579 0.999330 0.996608 Cl\n0.999330 0.996608 0.245579 Cl\n0.253392 0.004421 0.491517 Cl\n0.250670 0.253392 0.491517 Cl\n0.004421 0.250670 0.491517 Cl\n0.245579 0.996608 0.758483 Cl\n0.999330 0.245579 0.758483 Cl\n0.996608 0.999330 0.758483 Cl\n0.491517 0.250670 0.253392 Cl\n0.491517 0.004421 0.250670 Cl\n0.491517 0.253392 0.004421 Cl\n0.758483 0.999330 0.245579 Cl\n0.758483 0.996608 0.999330 Cl\n0.758483 0.245579 0.996608 Cl\n0.526829 0.815644 0.769708 O\n0.769708 0.815644 0.887819 O\n0.887819 0.815644 0.526829 O\n0.723171 0.434356 0.362181 O\n0.362181 0.434356 0.480292 O\n0.480292 0.434356 0.723171 O\n0.769708 0.887819 0.526829 O\n0.887819 0.526829 0.769708 O\n0.526829 0.769708 0.887819 O\n0.362181 0.480292 0.723171 O\n0.480292 0.723171 0.362181 O\n0.723171 0.362181 0.480292 O\n0.887819 0.769708 0.815644 O\n0.526829 0.887819 0.815644 O\n0.769708 0.526829 0.815644 O\n0.480292 0.362181 0.434356 O\n0.723171 0.480292 0.434356 O\n0.362181 0.723171 0.434356 O\n0.815644 0.526829 0.887819 O\n0.815644 0.769708 0.526829 O\n0.815644 0.887819 0.769708 O\n0.434356 0.723171 0.480292 O\n0.434356 0.362181 0.723171 O\n0.434356 0.480292 0.362181 O\n",
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"formula_full": "Ta12 C12 N12 Cl24 O24",
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{
"id": "mp-1193326",
"created_at": "2022-09-04T14:40:59.808501Z",
"structure_string": "Hg4 C4 N8 Cl8 O4\n1.0\n7.493632 0.000000 0.000000\n1.039134 10.314689 0.000000\n2.570977 2.684072 10.965572\nHg C N Cl O\n4 4 8 8 4\ndirect\n0.190120 0.419571 0.626593 Hg\n0.809880 0.580429 0.373407 Hg\n0.789357 0.843421 0.012909 Hg\n0.210643 0.156579 0.987091 Hg\n0.340881 0.792713 0.467281 C\n0.659119 0.207287 0.532719 C\n0.698105 0.259186 0.874410 C\n0.301895 0.740814 0.125590 C\n0.311754 0.911282 0.461756 N\n0.688246 0.088718 0.538244 N\n0.298462 0.032346 0.451891 N\n0.701538 0.967654 0.548109 N\n0.765872 0.339397 0.933162 N\n0.234128 0.660603 0.066838 N\n0.794553 0.372193 0.812342 N\n0.205447 0.627807 0.187658 N\n0.267047 0.484047 0.784960 Cl\n0.732953 0.515953 0.215040 Cl\n0.123195 0.334801 0.476493 Cl\n0.876805 0.665199 0.523507 Cl\n0.841705 0.939398 0.161710 Cl\n0.158295 0.060602 0.838290 Cl\n0.744430 0.741482 0.868501 Cl\n0.255570 0.258518 0.131499 Cl\n0.369500 0.677046 0.466291 O\n0.630500 0.322954 0.533709 O\n0.619853 0.163507 0.874037 O\n0.380147 0.836493 0.125963 O\n",
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{
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"structure_string": "Cu4 H8 C4 N8 Cl4\n1.0\n10.540174 0.000000 0.000000\n0.000000 4.088894 0.000000\n0.000000 0.000000 13.423347\nCu H C N Cl\n4 8 4 8 4\ndirect\n0.999627 0.250000 0.592024 Cu\n0.499627 0.250000 0.907976 Cu\n0.000373 0.750000 0.407976 Cu\n0.500373 0.750000 0.092024 Cu\n0.647050 0.250000 0.262299 H\n0.147050 0.250000 0.237701 H\n0.352950 0.750000 0.737701 H\n0.852950 0.750000 0.762299 H\n0.688611 0.250000 0.391407 H\n0.188611 0.250000 0.108593 H\n0.311389 0.750000 0.608593 H\n0.811389 0.750000 0.891407 H\n0.393519 0.250000 0.379318 C\n0.893519 0.250000 0.120682 C\n0.606481 0.750000 0.620682 C\n0.106481 0.750000 0.879318 C\n0.503027 0.250000 0.359584 N\n0.003027 0.250000 0.140416 N\n0.496973 0.750000 0.640416 N\n0.996973 0.750000 0.859584 N\n0.624034 0.250000 0.335843 N\n0.124034 0.250000 0.164157 N\n0.375966 0.750000 0.664157 N\n0.875966 0.750000 0.835843 N\n0.068246 0.250000 0.400982 Cl\n0.568246 0.250000 0.099018 Cl\n0.931754 0.750000 0.599018 Cl\n0.431754 0.750000 0.900982 Cl\n",
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{
"id": "mp-706670",
"created_at": "2022-09-04T14:42:39.683425Z",
"structure_string": "Al1 Cu1 H28 S2 Cl1 O22\n1.0\n6.262277 0.000000 0.000000\n0.513058 6.289028 0.000000\n0.287925 1.728447 13.306905\nAl Cu H S Cl O\n1 1 28 2 1 22\ndirect\n0.500000 0.500000 0.000000 Al\n0.000000 0.500000 0.500000 Cu\n0.649789 0.721149 0.130699 H\n0.350211 0.278851 0.869301 H\n0.577723 0.495753 0.191113 H\n0.422277 0.504247 0.808887 H\n0.530235 0.123293 0.102578 H\n0.469765 0.876707 0.897422 H\n0.272649 0.202514 0.092924 H\n0.727351 0.797486 0.907076 H\n0.176033 0.692244 0.086859 H\n0.823967 0.307756 0.913141 H\n0.872799 0.297730 0.031946 H\n0.127201 0.702270 0.968054 H\n0.650081 0.507719 0.388675 H\n0.349919 0.492281 0.611325 H\n0.634946 0.710329 0.456421 H\n0.365054 0.289671 0.543579 H\n0.785270 0.149981 0.529825 H\n0.214730 0.850019 0.470175 H\n0.005460 0.885129 0.400321 H\n0.994540 0.114871 0.599679 H\n0.043639 0.278562 0.315863 H\n0.956361 0.721438 0.684137 H\n0.080813 0.525656 0.283214 H\n0.919187 0.474344 0.716786 H\n0.391302 0.362464 0.317717 H\n0.608698 0.637536 0.682283 H\n0.623333 0.230320 0.311922 H\n0.376667 0.769680 0.688078 H\n0.932857 0.984645 0.189327 S\n0.067143 0.015355 0.810673 S\n0.500000 0.000000 0.500000 Cl\n0.907591 0.053883 0.291821 O\n0.092409 0.946117 0.708179 O\n0.716241 0.948816 0.152252 O\n0.283759 0.051184 0.847748 O\n0.023104 0.159045 0.118560 O\n0.976896 0.840955 0.881440 O\n0.076234 0.784515 0.193700 O\n0.923766 0.215485 0.806300 O\n0.597992 0.577870 0.122118 O\n0.402008 0.422130 0.877882 O\n0.421758 0.236284 0.070933 O\n0.578242 0.763716 0.929067 O\n0.220734 0.629365 0.024292 O\n0.779266 0.370635 0.975708 O\n0.714808 0.573924 0.443672 O\n0.285192 0.426076 0.556328 O\n0.071671 0.798679 0.460493 O\n0.928329 0.201321 0.539507 O\n0.124433 0.399006 0.331721 O\n0.875567 0.600994 0.668279 O\n0.548864 0.374838 0.302073 O\n0.451136 0.625162 0.697927 O\n",
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"formula_full": "Al1 Cu1 H28 S2 Cl1 O22",
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{
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"structure_string": "Li1 V1 Cr1 P2 H2 O10\n1.0\n5.205968 0.000000 0.000000\n-0.757669 5.260343 0.000000\n-1.962541 -2.847476 6.502105\nLi V Cr P H O\n1 1 1 2 2 10\ndirect\n0.776716 0.410925 0.151123 Li\n0.998239 0.996460 0.505958 V\n0.999508 0.004603 0.998775 Cr\n0.319246 0.647758 0.228515 P\n0.673460 0.351304 0.775409 P\n0.645130 0.940484 0.346240 H\n0.351854 0.031169 0.662247 H\n0.143326 0.974401 0.717838 O\n0.279236 0.809165 0.380248 O\n0.724581 0.656938 0.650055 O\n0.628606 0.749199 0.071605 O\n0.104371 0.669881 0.128204 O\n0.873376 0.329809 0.889394 O\n0.368262 0.241588 0.930136 O\n0.287689 0.342585 0.342080 O\n0.728832 0.195215 0.619090 O\n0.845764 0.047088 0.280525 O\n",
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{
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{
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{
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{
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"structure_string": "Li3 Mn3 V3 P6 H6 O30\n1.0\n7.351910 0.000000 0.000000\n-0.668738 8.090821 0.000000\n-2.343548 -3.868573 9.044094\nLi Mn V P H O\n3 3 3 6 6 30\ndirect\n0.010707 0.765952 0.162596 Li\n0.656276 0.569134 0.504443 Li\n0.988332 0.233802 0.837046 Li\n0.334832 0.668149 0.333588 Mn\n0.660077 0.332567 0.665694 Mn\n0.001914 0.001688 0.000851 Mn\n0.172569 0.833856 0.665705 V\n0.831719 0.165633 0.332907 V\n0.498843 0.499387 0.999729 V\n0.757990 0.923576 0.525087 P\n0.912745 0.410307 0.140807 P\n0.421634 0.257596 0.192874 P\n0.582783 0.744425 0.807592 P\n0.085912 0.590487 0.859337 P\n0.243268 0.076665 0.473750 P\n0.744527 0.897589 0.089744 H\n0.573206 0.777168 0.237496 H\n0.094830 0.555542 0.428732 H\n0.918738 0.435913 0.577765 H\n0.423675 0.222898 0.762537 H\n0.256450 0.102345 0.909534 H\n0.208816 0.900110 0.341508 O\n0.869857 0.976009 0.149652 O\n0.103536 0.536753 0.176339 O\n0.463939 0.675059 0.183620 O\n0.762313 0.951998 0.380288 O\n0.762195 0.528838 0.109031 O\n0.433303 0.289451 0.049557 O\n0.203719 0.657635 0.482553 O\n0.565055 0.802731 0.493398 O\n0.226298 0.143746 0.158643 O\n0.456164 0.433760 0.325423 O\n0.889559 0.238812 0.006029 O\n0.423581 0.854707 0.775209 O\n0.906333 0.803980 0.557887 O\n0.095659 0.625362 0.718686 O\n0.903698 0.376586 0.281976 O\n0.085767 0.188249 0.440586 O\n0.578708 0.145671 0.226232 O\n0.109331 0.761692 0.994384 O\n0.559442 0.573728 0.671913 O\n0.776188 0.863747 0.845328 O\n0.438843 0.189122 0.506878 O\n0.793446 0.357245 0.517012 O\n0.567493 0.707130 0.947438 O\n0.236346 0.471763 0.890974 O\n0.232418 0.045136 0.617262 O\n0.532945 0.324497 0.815640 O\n0.895166 0.462795 0.822277 O\n0.130896 0.023850 0.850043 O\n0.792851 0.101311 0.655847 O\n",
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{
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}