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{
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{
"id": "jvasp-97668",
"created_at": "2022-09-04T14:36:04.979486Z",
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"structure_string": "Li2 H40 C16 Br2 O8\n1.0\n6.312638 3.890178 -0.578819\n-6.312638 3.890178 0.578819\n0.226929 0.000000 11.929482\nLi H C Br O\n2 40 16 2 8\ndirect\n0.934295 0.934294 0.750000 Li\n0.065706 0.065706 0.250000 Li\n0.877130 0.365015 0.415386 H\n0.365015 0.877130 0.084614 H\n0.183163 0.898765 0.575135 H\n0.898765 0.183163 0.924865 H\n0.816837 0.101236 0.424865 H\n0.101236 0.816837 0.075135 H\n0.227042 0.787981 0.873623 H\n0.787981 0.227042 0.626377 H\n0.772959 0.212019 0.126377 H\n0.372492 0.923912 0.755692 H\n0.923912 0.372492 0.744307 H\n0.627509 0.076089 0.244308 H\n0.076089 0.627509 0.255692 H\n0.282374 0.653476 0.771250 H\n0.653476 0.282374 0.728750 H\n0.717627 0.346524 0.228750 H\n0.346524 0.717627 0.271250 H\n0.634986 0.122870 0.915386 H\n0.122870 0.634986 0.584614 H\n0.212019 0.772958 0.373623 H\n0.430403 0.234867 0.527397 H\n0.234868 0.430403 0.972603 H\n0.864469 0.701757 0.463699 H\n0.701757 0.864469 0.036300 H\n0.135532 0.298243 0.536300 H\n0.298244 0.135532 0.963699 H\n0.757715 0.540331 0.585078 H\n0.540331 0.757714 0.914921 H\n0.459669 0.242286 0.085078 H\n0.556719 0.892706 0.593438 H\n0.242286 0.459669 0.414921 H\n0.569598 0.765133 0.472603 H\n0.443282 0.107294 0.406562 H\n0.107294 0.443282 0.093438 H\n0.495386 0.629930 0.606275 H\n0.629930 0.495386 0.893725 H\n0.504614 0.370070 0.393725 H\n0.370070 0.504614 0.106275 H\n0.892706 0.556719 0.906562 H\n0.765133 0.569598 0.027397 H\n0.926321 0.252089 0.393866 C\n0.252089 0.926321 0.106134 C\n0.248963 0.780466 0.784279 C\n0.219535 0.751038 0.284279 C\n0.751038 0.219535 0.215720 C\n0.747912 0.073680 0.893866 C\n0.780466 0.248963 0.715720 C\n0.073680 0.747912 0.606134 C\n0.134919 0.306276 0.443688 C\n0.407793 0.223948 0.435451 C\n0.776052 0.592207 0.935451 C\n0.592207 0.776052 0.564549 C\n0.306276 0.134919 0.056312 C\n0.693725 0.865082 0.943687 C\n0.865082 0.693725 0.556312 C\n0.223948 0.407793 0.064549 C\n0.729231 0.729231 0.250000 Br\n0.270770 0.270770 0.750000 Br\n0.937654 0.251086 0.274053 O\n0.801558 0.835094 0.595670 O\n0.835094 0.801558 0.904330 O\n0.198443 0.164907 0.404330 O\n0.164907 0.198443 0.095670 O\n0.062346 0.748914 0.725947 O\n0.748915 0.062346 0.774053 O\n0.251086 0.937654 0.225947 O\n",
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"formula_full": "Li2 H40 C16 Br2 O8",
"formula_reduced": "LiH20C8BrO4",
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"spacegroup": 15
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{
"id": "jvasp-98264",
"created_at": "2022-09-04T14:35:55.613615Z",
"updated_at": "2022-09-04T14:35:55.613625Z",
"structure_string": "Sn4 H32 C16 O16\n1.0\n5.771032 0.000000 0.000000\n0.000000 9.509983 0.000000\n0.000000 0.000000 12.079946\nSn H C O\n4 32 16 16\ndirect\n0.068476 0.250000 0.696864 Sn\n0.568476 0.750000 0.803137 Sn\n0.931524 0.750000 0.303137 Sn\n0.431524 0.250000 0.196863 Sn\n0.657332 0.250000 0.591427 H\n0.772155 0.750000 0.089396 H\n0.370554 0.655478 0.988296 H\n0.342668 0.750000 0.408573 H\n0.870554 0.344522 0.511705 H\n0.272156 0.250000 0.410604 H\n0.227844 0.250000 0.910604 H\n0.034771 0.440379 0.914262 H\n0.870554 0.155478 0.511705 H\n0.370554 0.844522 0.988296 H\n0.034771 0.059620 0.914262 H\n0.921212 0.655607 0.678481 H\n0.629446 0.155478 0.011705 H\n0.157332 0.750000 0.908573 H\n0.965229 0.559620 0.085738 H\n0.727844 0.750000 0.589396 H\n0.465229 0.440379 0.414262 H\n0.578787 0.655607 0.178481 H\n0.534770 0.559620 0.585738 H\n0.129446 0.844522 0.488296 H\n0.078787 0.155607 0.321519 H\n0.965229 0.940379 0.085738 H\n0.465229 0.059620 0.414262 H\n0.129446 0.655478 0.488296 H\n0.421213 0.344393 0.821520 H\n0.842667 0.250000 0.091427 H\n0.629446 0.344522 0.011705 H\n0.578787 0.844392 0.178481 H\n0.921212 0.844392 0.678481 H\n0.421213 0.155607 0.821520 H\n0.534770 0.940379 0.585738 H\n0.078787 0.344393 0.321519 H\n0.105354 0.516099 0.137602 C\n0.685366 0.750000 0.169884 C\n0.185366 0.250000 0.330117 C\n0.814633 0.750000 0.669884 C\n0.394646 0.983901 0.637603 C\n0.164833 0.750000 0.439533 C\n0.394646 0.516099 0.637603 C\n0.664833 0.250000 0.060467 C\n0.894646 0.016099 0.862398 C\n0.605353 0.016099 0.362398 C\n0.105354 0.983901 0.137602 C\n0.335166 0.750000 0.939534 C\n0.605353 0.483901 0.362398 C\n0.314634 0.250000 0.830117 C\n0.835166 0.250000 0.560467 C\n0.894646 0.483901 0.862398 C\n0.844312 0.423098 0.771591 O\n0.292941 0.092336 0.600285 O\n0.655688 0.076902 0.271591 O\n0.292941 0.407664 0.600285 O\n0.707059 0.592335 0.399715 O\n0.792940 0.907664 0.899715 O\n0.792940 0.592335 0.899715 O\n0.344312 0.576902 0.728409 O\n0.844312 0.076902 0.771591 O\n0.207059 0.092336 0.100285 O\n0.155688 0.923098 0.228409 O\n0.207059 0.407664 0.100285 O\n0.344312 0.923098 0.728409 O\n0.655688 0.423098 0.271591 O\n0.707059 0.907664 0.399715 O\n0.155688 0.576902 0.228409 O\n",
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"volume": 662.9766241959929,
"volume_molar": 5.871380222791017,
"formula_full": "Sn4 H32 C16 O16",
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{
"id": "jvasp-98638",
"created_at": "2022-09-04T14:35:42.192579Z",
"updated_at": "2022-09-04T14:35:42.192589Z",
"structure_string": "Al4 P8 H20 O36\n1.0\n7.249898 0.000000 -2.790608\n0.000000 9.133445 0.000000\n0.007526 0.000000 9.339998\nAl P H O\n4 8 20 36\ndirect\n0.129632 0.281921 0.936020 Al\n0.870369 0.781921 0.563980 Al\n0.870369 0.718078 0.063980 Al\n0.129631 0.218078 0.436020 Al\n0.378857 0.399913 0.267222 P\n0.621144 0.600087 0.732779 P\n0.378857 0.100087 0.767222 P\n0.621143 0.899912 0.232778 P\n0.134838 0.880732 0.366689 P\n0.134838 0.619267 0.866689 P\n0.865163 0.119268 0.633311 P\n0.865162 0.380732 0.133311 P\n0.552474 0.356392 0.069757 H\n0.626406 0.296159 0.423260 H\n0.373594 0.796159 0.076740 H\n0.373594 0.703840 0.576740 H\n0.626407 0.203840 0.923260 H\n0.235070 0.621344 0.242940 H\n0.764931 0.121344 0.257060 H\n0.764931 0.378656 0.757060 H\n0.447527 0.856392 0.430243 H\n0.235070 0.878655 0.742940 H\n0.552474 0.143607 0.569757 H\n0.447527 0.643607 0.930243 H\n0.118772 0.089541 0.138783 H\n0.881229 0.910459 0.861217 H\n0.118772 0.410459 0.638783 H\n0.881229 0.589541 0.361217 H\n0.741911 0.534096 0.436288 H\n0.741911 0.965903 0.936288 H\n0.258090 0.465903 0.563713 H\n0.258090 0.034096 0.063712 H\n0.654826 0.155856 0.529085 O\n0.341950 0.137755 0.598989 O\n0.118141 0.456975 0.820034 O\n0.881860 0.956975 0.679967 O\n0.881860 0.543024 0.179967 O\n0.118141 0.043024 0.320034 O\n0.345175 0.655856 0.970916 O\n0.647027 0.067581 0.207570 O\n0.654826 0.344144 0.029084 O\n0.352974 0.932418 0.792431 O\n0.647027 0.432418 0.707570 O\n0.352974 0.567581 0.292430 O\n0.594380 0.112997 0.856195 O\n0.405621 0.612996 0.643805 O\n0.658051 0.637755 0.901011 O\n0.345175 0.844144 0.470916 O\n0.658051 0.862244 0.401011 O\n0.846424 0.602061 0.453205 O\n0.281479 0.301764 0.343080 O\n0.153576 0.102062 0.046795 O\n0.405621 0.887003 0.143805 O\n0.846425 0.897938 0.953205 O\n0.153577 0.397938 0.546796 O\n0.969470 0.348002 0.028212 O\n0.030530 0.848001 0.471788 O\n0.030530 0.651998 0.971788 O\n0.969471 0.151998 0.528212 O\n0.914500 0.219344 0.773433 O\n0.085501 0.719344 0.726568 O\n0.085500 0.780655 0.226568 O\n0.914500 0.280655 0.273432 O\n0.281479 0.198236 0.843080 O\n0.718522 0.698236 0.656920 O\n0.718522 0.801763 0.156920 O\n0.341950 0.362244 0.098989 O\n0.594380 0.387003 0.356195 O\n",
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{
"id": "jvasp-101997",
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"structure_string": "H40 C20 O8\n1.0\n4.940750 0.000000 -0.666456\n0.000000 9.564304 0.000000\n0.135147 0.000000 11.504071\nH C O\n40 20 8\ndirect\n0.678070 0.873366 0.096868 H\n0.585060 0.174916 0.744423 H\n0.414941 0.825084 0.255577 H\n0.166596 0.539807 0.723723 H\n0.833405 0.460193 0.276277 H\n0.833405 0.039807 0.776277 H\n0.166596 0.960193 0.223723 H\n0.653703 0.447863 0.739996 H\n0.346298 0.552136 0.260004 H\n0.346298 0.947863 0.760004 H\n0.653702 0.052137 0.239996 H\n0.456570 0.368727 0.840669 H\n0.543431 0.868727 0.659331 H\n0.456570 0.131272 0.340669 H\n0.696000 0.500651 0.889726 H\n0.304000 0.499349 0.110274 H\n0.304001 0.000651 0.610274 H\n0.696000 -0.000651 0.389726 H\n0.585060 0.325084 0.244423 H\n0.414941 0.674916 0.755577 H\n0.543430 0.631272 0.159331 H\n0.117929 0.144522 0.454276 H\n0.882072 0.855477 0.545723 H\n0.321930 0.126633 0.903131 H\n0.321930 0.373367 0.403131 H\n0.678071 0.626633 0.596868 H\n0.543420 0.823183 0.951866 H\n0.456581 0.323184 0.548133 H\n0.543420 0.676816 0.451866 H\n0.794021 0.955356 0.973151 H\n0.456580 0.176816 0.048133 H\n0.205980 0.455356 0.526849 H\n0.794021 0.544643 0.473151 H\n0.128843 0.773997 0.069052 H\n0.871158 0.226002 0.930947 H\n0.871158 0.273998 0.430947 H\n0.128843 0.726002 0.569052 H\n0.882071 0.644522 0.045723 H\n0.205980 0.044644 0.026849 H\n0.117929 0.355478 0.954276 H\n0.332088 0.577765 0.788072 C\n0.667912 0.422235 0.211928 C\n0.667913 0.077765 0.711928 C\n0.453019 0.967727 0.683357 C\n0.546982 0.467728 0.816642 C\n0.453019 0.532272 0.183357 C\n0.034219 0.785296 0.391059 C\n0.546981 0.032272 0.316642 C\n0.332088 0.922235 0.288072 C\n0.965782 0.214704 0.608941 C\n0.947143 0.744085 0.009680 C\n0.034219 0.714704 0.891059 C\n0.947144 0.755914 0.509680 C\n0.052857 0.244086 0.490320 C\n0.052857 0.255914 0.990320 C\n0.728065 0.644597 0.507554 C\n0.271936 0.355402 0.492445 C\n0.271936 0.144597 0.992445 C\n0.728065 0.855402 0.007554 C\n0.965781 0.285296 0.108941 C\n0.780027 0.388904 0.103381 O\n0.219973 0.611095 0.896618 O\n0.953138 0.723895 0.300055 O\n0.780028 0.111096 0.603381 O\n0.046862 0.223896 0.199945 O\n0.953139 0.776104 0.800055 O\n0.046862 0.276104 0.699945 O\n0.219973 0.888904 0.396618 O\n",
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"volume": 544.4844291520351,
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"formula_full": "H40 C20 O8",
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{
"id": "jvasp-97779",
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"updated_at": "2022-09-04T14:35:47.138897Z",
"structure_string": "La4 Cd4 B20 O40\n1.0\n7.949549 0.000000 0.000000\n0.000000 8.790536 -0.230401\n0.000000 -0.005337 9.690457\nLa Cd B O\n4 4 20 40\ndirect\n0.675533 0.310584 0.265645 La\n0.324468 0.689416 0.734355 La\n0.824468 0.810584 0.765645 La\n0.175533 0.189416 0.234355 La\n0.908635 0.891808 0.374444 Cd\n0.408635 0.608193 0.125556 Cd\n0.091365 0.108192 0.625556 Cd\n0.591365 0.391807 0.874445 Cd\n0.031068 0.782031 0.057196 B\n0.531068 0.717969 0.442805 B\n0.968932 0.217969 0.942805 B\n0.468932 0.282031 0.557196 B\n0.825663 0.018112 0.099905 B\n0.325663 0.481888 0.400095 B\n0.422362 0.082901 0.744949 B\n0.674337 0.518112 0.599905 B\n0.174337 0.981889 0.900095 B\n0.602513 0.851639 0.997115 B\n0.675107 0.067564 0.591945 B\n0.175106 0.432436 0.908055 B\n0.324894 0.932436 0.408055 B\n0.102513 0.648362 0.502885 B\n0.397487 0.148361 0.002885 B\n0.922363 0.417099 0.755051 B\n0.577638 0.917099 0.255051 B\n0.077638 0.582901 0.244949 B\n0.824894 0.567565 0.091945 B\n0.897487 0.351639 0.497115 B\n0.879992 0.686414 0.014441 O\n0.470398 0.580622 0.362462 O\n0.970398 0.919378 0.137539 O\n0.612189 0.674414 0.576383 O\n0.112189 0.825586 0.923618 O\n0.387811 0.325586 0.423617 O\n0.620008 0.186414 0.514441 O\n0.270072 0.041744 0.019284 O\n0.229928 0.541744 0.519284 O\n0.729929 0.958256 0.980716 O\n0.029602 0.080622 0.862462 O\n0.120008 0.313586 0.985559 O\n0.379992 0.813586 0.485559 O\n0.887811 0.174414 0.076383 O\n0.770072 0.458256 0.480716 O\n0.529603 0.419378 0.637539 O\n0.859501 0.308435 0.856094 O\n0.640500 0.808435 0.356094 O\n0.787244 0.529845 0.725802 O\n0.330980 0.499952 0.922642 O\n0.830980 0.000048 0.577358 O\n0.669020 0.500048 0.077358 O\n0.169020 -0.000048 0.422642 O\n0.554653 0.763201 0.887100 O\n0.054653 0.736799 0.612901 O\n0.445347 0.236799 0.112901 O\n0.287244 0.970155 0.774199 O\n0.140500 0.691565 0.143906 O\n0.945347 0.263201 0.387099 O\n0.212756 0.470155 0.274199 O\n0.467075 0.166286 0.874742 O\n0.532925 0.833714 0.125259 O\n0.032925 0.666287 0.374741 O\n0.576185 0.006489 0.694172 O\n0.076185 0.493511 0.805829 O\n0.423815 0.993511 0.305828 O\n0.923815 0.506490 0.194172 O\n0.359501 0.191565 0.643906 O\n0.712756 0.029845 0.225801 O\n0.967075 0.333713 0.625259 O\n",
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{
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{
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