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{
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"structure_string": "Cr2 B12 H72 C16 O4\n1.0\n7.451571 0.000000 0.000000\n0.000000 17.826270 0.000000\n-2.960657 0.000000 7.962440\nCr B H C O\n2 12 72 16 4\ndirect\n0.500000 0.500000 0.500000 Cr\n0.500000 0.000000 0.000000 Cr\n0.258788 0.461689 0.652504 B\n0.741212 0.961689 0.847496 B\n0.741212 0.538311 0.347496 B\n0.258788 0.038311 0.152504 B\n0.488178 0.420128 0.753031 B\n0.511822 0.920128 0.746969 B\n0.511822 0.579872 0.246969 B\n0.488178 0.079872 0.253031 B\n0.277890 0.361963 0.684405 B\n0.722110 0.861963 0.815595 B\n0.722110 0.638037 0.315595 B\n0.277890 0.138037 0.184405 B\n0.231202 0.491072 0.514529 H\n0.768798 0.991072 0.985471 H\n0.768798 0.508928 0.485471 H\n0.231202 0.008928 0.014529 H\n0.211593 0.502254 0.744446 H\n0.788407 0.002254 0.755554 H\n0.788407 0.497746 0.255554 H\n0.211593 0.997746 0.244446 H\n0.125810 0.413322 0.601409 H\n0.874190 0.913322 0.898591 H\n0.874190 0.586678 0.398591 H\n0.125810 0.086678 0.101409 H\n0.600156 0.420575 0.674428 H\n0.399844 0.920575 0.825572 H\n0.399844 0.579425 0.325572 H\n0.600156 0.079425 0.174428 H\n0.562409 0.443470 0.893713 H\n0.437591 0.943470 0.606287 H\n0.437591 0.556530 0.106287 H\n0.562409 0.056530 0.393713 H\n0.482382 0.349659 0.768971 H\n0.517618 0.849659 0.731029 H\n0.517618 0.650341 0.231029 H\n0.482382 0.150341 0.268971 H\n0.222332 0.338269 0.792399 H\n0.777668 0.838269 0.707601 H\n0.777668 0.661731 0.207601 H\n0.222332 0.161731 0.292399 H\n0.255950 0.320400 0.567198 H\n0.744050 0.820400 0.932802 H\n0.744050 0.679600 0.432802 H\n0.255950 0.179600 0.067198 H\n0.405589 0.320323 0.187915 H\n0.594411 0.820323 0.312085 H\n0.594411 0.679677 0.812085 H\n0.405589 0.179677 0.687915 H\n0.565542 0.394731 0.187375 H\n0.434458 0.894731 0.312625 H\n0.434458 0.605269 0.812625 H\n0.565542 0.105269 0.687375 H\n0.732100 0.283223 0.363615 H\n0.267900 0.783223 0.136385 H\n0.267900 0.716777 0.636385 H\n0.732100 0.216777 0.863615 H\n0.761326 0.363590 0.492915 H\n0.238674 0.863590 0.007085 H\n0.238674 0.636410 0.507085 H\n0.761326 0.136410 0.992915 H\n0.589748 0.293617 0.491900 H\n0.410252 0.793617 0.008100 H\n0.410252 0.706383 0.508100 H\n0.589748 0.206383 0.991900 H\n0.153019 0.481967 0.216724 H\n0.846981 0.981967 0.283276 H\n0.846981 0.518033 0.783276 H\n0.153019 0.018033 0.716724 H\n0.244716 0.438539 0.072404 H\n0.755284 0.938539 0.427596 H\n0.755284 0.561461 0.927596 H\n0.244716 0.061461 0.572404 H\n0.929159 0.383750 0.059084 H\n0.070841 0.883750 0.440916 H\n0.070841 0.616250 0.940916 H\n0.929159 0.116250 0.559084 H\n0.108575 0.313661 0.121261 H\n0.891425 0.813661 0.378739 H\n0.891425 0.686339 0.878739 H\n0.108575 0.186339 0.621261 H\n0.027378 0.356928 0.274135 H\n0.972622 0.856928 0.225865 H\n0.972622 0.643072 0.725865 H\n0.027378 0.143072 0.774135 H\n0.504608 0.362034 0.266755 C\n0.495392 0.862034 0.233245 C\n0.495392 0.637966 0.733245 C\n0.504608 0.137966 0.766755 C\n0.655179 0.324204 0.413529 C\n0.344821 0.824204 0.086471 C\n0.344821 0.675796 0.586471 C\n0.655179 0.175796 0.913529 C\n0.207148 0.428962 0.185030 C\n0.792852 0.928962 0.314970 C\n0.792852 0.571038 0.814970 C\n0.207148 0.071038 0.685030 C\n0.061600 0.366572 0.160399 C\n0.938400 0.866572 0.339601 C\n0.938400 0.633428 0.839601 C\n0.061600 0.133428 0.660399 C\n0.386678 0.413448 0.323902 O\n0.613322 0.913448 0.176098 O\n0.613322 0.586552 0.676098 O\n0.386678 0.086552 0.823902 O\n",
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"formula_full": "Cr2 B12 H72 C16 O4",
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"spacegroup": 14
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{
"id": "mp-1216957",
"created_at": "2022-09-04T14:42:50.906494Z",
"structure_string": "Tl8 Ge8 Sb8 O40\n1.0\n6.774406 0.000000 0.000000\n0.000000 10.951341 0.000000\n0.000000 0.000000 13.605406\nTl Ge Sb O\n8 8 8 40\ndirect\n0.794765 0.903916 0.608015 Tl\n0.205235 0.403916 0.391985 Tl\n0.294765 0.403916 0.891985 Tl\n0.705235 0.903916 0.108015 Tl\n0.715328 0.645773 0.888035 Tl\n0.284672 0.145773 0.111965 Tl\n0.215328 0.145773 0.611965 Tl\n0.784672 0.645773 0.388035 Tl\n0.992330 0.501011 0.681495 Ge\n0.007670 0.001011 0.318505 Ge\n0.492330 0.001011 0.818505 Ge\n0.507670 0.501011 0.181495 Ge\n0.183315 0.750714 0.996765 Ge\n0.816685 0.250714 0.003235 Ge\n0.683315 0.250714 0.503235 Ge\n0.316685 0.750714 0.496765 Ge\n0.994632 0.999810 0.880675 Sb\n0.005368 0.499810 0.119325 Sb\n0.494632 0.499810 0.619325 Sb\n0.505368 0.999810 0.380675 Sb\n0.246563 0.755045 0.745054 Sb\n0.753437 0.255045 0.254946 Sb\n0.746563 0.255045 0.754946 Sb\n0.253437 0.755045 0.245054 Sb\n0.040248 0.631641 0.218895 O\n0.959752 0.131641 0.781105 O\n0.540248 0.131641 0.281105 O\n0.459752 0.631641 0.718895 O\n0.710683 0.531613 0.102927 O\n0.289317 0.031613 0.897073 O\n0.210683 0.031613 0.397073 O\n0.789317 0.531613 0.602927 O\n0.835446 0.270975 0.398546 O\n0.164554 0.770975 0.601454 O\n0.335446 0.770975 0.101454 O\n0.664554 0.270975 0.898546 O\n0.460844 0.627240 0.261329 O\n0.539156 0.127240 0.738671 O\n0.960844 0.127240 0.238671 O\n0.039156 0.627240 0.761329 O\n0.948122 0.386259 0.772554 O\n0.051878 0.886259 0.227446 O\n0.448122 0.886259 0.727446 O\n0.551878 0.386259 0.272554 O\n0.534627 0.377541 0.725854 O\n0.465373 0.877541 0.274146 O\n0.034627 0.877541 0.774146 O\n0.965373 0.377541 0.225854 O\n0.542120 0.114602 0.494111 O\n0.457880 0.614602 0.505889 O\n0.042120 0.614602 0.005889 O\n0.957880 0.114602 0.994111 O\n0.330645 0.740306 0.889021 O\n0.669355 0.240306 0.110979 O\n0.830645 0.240306 0.610979 O\n0.169355 0.740306 0.389021 O\n0.010034 0.870623 0.985629 O\n0.989966 0.370623 0.014371 O\n0.510034 0.370623 0.514371 O\n0.489966 0.870623 0.485629 O\n0.201580 0.459231 0.611789 O\n0.798420 0.959231 0.388211 O\n0.701580 0.959231 0.888211 O\n0.298420 0.459231 0.111789 O\n",
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"formula_full": "Tl8 Ge8 Sb8 O40",
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{
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"created_at": "2022-09-04T14:39:05.986163Z",
"structure_string": "Li2 Sn4 P6 O20\n1.0\n9.218717 0.000000 0.000000\n0.000000 5.079296 0.000000\n0.000000 0.812016 10.018183\nLi Sn P O\n2 4 6 20\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.000000 Li\n0.442139 0.027384 0.673617 Sn\n0.557861 0.972616 0.326383 Sn\n0.942139 0.972616 0.326383 Sn\n0.057861 0.027384 0.673617 Sn\n0.750000 0.708062 0.836957 P\n0.750000 0.440705 0.567793 P\n0.250000 0.559295 0.432207 P\n0.750000 0.582385 0.123687 P\n0.250000 0.291938 0.163043 P\n0.250000 0.417615 0.876313 P\n0.111050 0.721366 0.444137 O\n0.110913 0.249847 0.862100 O\n0.388950 0.721366 0.444137 O\n0.250000 0.495359 0.032622 O\n0.750000 0.504641 0.967378 O\n0.611050 0.278634 0.555863 O\n0.888950 0.278634 0.555863 O\n0.750000 0.319250 0.204040 O\n0.389127 0.130201 0.163744 O\n0.250000 0.494934 0.272435 O\n0.389087 0.249847 0.862100 O\n0.889127 0.869799 0.836256 O\n0.750000 0.701538 0.482403 O\n0.250000 0.298462 0.517597 O\n0.610913 0.750153 0.137900 O\n0.250000 0.680750 0.795960 O\n0.610873 0.869799 0.836256 O\n0.110873 0.130201 0.163744 O\n0.750000 0.505066 0.727565 O\n0.889087 0.750153 0.137900 O\n",
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{
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"structure_string": "H6 Pt1 N4 O4\n1.0\n0.189139 0.000000 -4.996670\n-3.979380 -4.738627 0.832680\n-3.979380 4.738627 0.832680\nH Pt N O\n6 1 4 4\ndirect\n0.374777 0.188440 0.333914 H\n0.625223 0.666086 0.811560 H\n0.413167 0.991258 0.486199 H\n0.586833 0.513801 0.008742 H\n0.172642 0.141770 0.516107 H\n0.827358 0.483893 0.858230 H\n0.000000 0.835283 0.164717 Pt\n0.000000 0.049535 0.950465 N\n0.000000 0.621447 0.378553 N\n0.273502 0.067955 0.402825 N\n0.726498 0.597175 0.932045 N\n0.189288 0.215827 0.984029 O\n0.810712 0.015971 0.784173 O\n0.204669 0.641536 0.529876 O\n0.795331 0.470124 0.358464 O\n",
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{
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{
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"structure_string": "K4 Co2 H8 I8 O28\n1.0\n-4.146571 4.054620 -5.575343\n-8.344378 -8.102168 0.052471\n-4.206059 4.056508 5.630951\nK Co H I O\n4 2 8 8 28\ndirect\n0.326798 0.672547 0.326880 K\n0.827197 0.172798 0.827366 K\n0.065405 0.934500 0.065478 K\n0.565444 0.434496 0.565440 K\n0.538691 0.959879 0.539393 Co\n0.041466 0.459809 0.037270 Co\n0.614691 0.761001 0.711209 H\n0.113935 0.261173 0.210194 H\n0.787466 0.837130 0.690664 H\n0.286598 0.337954 0.190868 H\n0.871982 0.662448 0.964064 H\n0.369578 0.162538 0.463160 H\n0.884380 0.582805 0.791728 H\n0.383811 0.083439 0.290556 H\n0.063485 0.425489 0.592541 I\n0.564443 0.925609 0.092037 I\n0.339058 0.171482 0.810453 I\n0.838159 0.672070 0.310387 I\n0.613868 0.425459 0.056965 I\n0.112915 0.926292 0.556452 I\n0.795479 0.164722 0.352671 I\n0.296070 0.665323 0.852155 I\n0.911896 0.590051 0.910203 O\n0.409078 0.090000 0.409670 O\n0.666735 0.833565 0.667158 O\n0.166053 0.333762 0.166386 O\n0.073932 0.832170 0.384486 O\n0.573376 0.332130 0.884458 O\n0.323518 0.771097 0.012387 O\n0.823030 0.270752 0.512623 O\n0.235961 0.526846 0.597502 O\n0.736370 0.027312 0.096686 O\n0.652732 0.583662 0.292848 O\n0.153588 0.083164 0.792610 O\n0.885460 0.526953 0.603248 O\n0.385919 0.026845 0.102566 O\n0.831675 0.755535 0.114189 O\n0.331579 0.255736 0.615122 O\n0.048794 0.368705 0.807267 O\n0.552047 0.869749 0.306842 O\n0.510240 0.071228 0.752548 O\n0.007835 0.570888 0.253541 O\n0.992624 0.856714 0.725500 O\n0.491137 0.356914 0.225283 O\n0.510187 0.641270 0.776204 O\n0.009659 0.141363 0.276342 O\n0.821581 0.365935 0.106744 O\n0.321792 0.868057 0.605677 O\n0.775378 0.035842 0.491196 O\n0.275087 0.536609 0.990961 O\n",
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{
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