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{
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{
"id": "jvasp-97668",
"created_at": "2022-09-04T14:36:04.979486Z",
"updated_at": "2022-09-04T14:36:04.979510Z",
"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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"density_atomic": 0.11585642638142672,
"volume": 586.9333460720421,
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"formula_full": "Li2 H40 C16 Br2 O8",
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{
"id": "jvasp-95704",
"created_at": "2022-09-04T14:36:02.321035Z",
"updated_at": "2022-09-04T14:36:02.321073Z",
"structure_string": "Bi12 Pt12 O44\n1.0\n9.483384 0.000000 -0.000000\n0.000000 9.483384 0.000000\n-0.000000 -0.000000 9.483384\nBi Pt O\n12 12 44\ndirect\n0.116679 0.383320 0.116679 Bi\n0.616679 0.616679 0.616679 Bi\n0.000000 0.500000 0.500000 Bi\n0.500000 0.500000 0.000000 Bi\n0.883320 0.883320 0.616679 Bi\n0.500000 0.000000 0.500000 Bi\n0.000000 0.000000 0.000000 Bi\n0.116679 0.116679 0.383320 Bi\n0.883320 0.616679 0.883320 Bi\n0.616679 0.883320 0.883320 Bi\n0.383320 0.383320 0.383320 Bi\n0.383320 0.116679 0.116679 Bi\n0.092012 0.250000 0.750000 Pt\n0.750000 0.092012 0.250000 Pt\n0.592012 0.750000 0.250000 Pt\n0.250000 0.592012 0.750000 Pt\n0.250000 0.750000 0.407987 Pt\n0.250000 0.907987 0.750000 Pt\n0.407987 0.250000 0.750000 Pt\n0.750000 0.250000 0.592012 Pt\n0.750000 0.250000 0.907987 Pt\n0.250000 0.750000 0.092012 Pt\n0.750000 0.407987 0.250000 Pt\n0.907987 0.750000 0.250000 Pt\n0.538614 0.254652 0.918478 O\n0.038615 0.745348 0.418478 O\n0.581522 0.538614 0.245348 O\n0.754652 0.081522 0.038615 O\n0.038615 0.754652 0.081522 O\n0.605218 0.250000 0.250000 O\n0.750000 0.394782 0.750000 O\n0.353114 0.146885 0.353114 O\n0.250000 0.894781 0.250000 O\n0.353114 0.353114 0.146885 O\n0.461385 0.745348 0.081522 O\n0.918478 0.538614 0.254652 O\n0.750000 0.750000 0.105218 O\n0.250000 0.250000 0.605218 O\n0.245348 0.918478 0.961385 O\n0.394782 0.750000 0.750000 O\n0.894781 0.250000 0.250000 O\n0.254652 0.581522 0.961385 O\n0.245348 0.581522 0.538614 O\n0.745348 0.081522 0.461385 O\n0.254652 0.918478 0.538614 O\n0.646885 0.646885 0.853114 O\n0.461385 0.754652 0.418478 O\n0.146885 0.353114 0.353114 O\n0.750000 0.105218 0.750000 O\n0.081522 0.461385 0.745348 O\n0.853114 0.853114 0.853114 O\n0.581522 0.961385 0.254652 O\n0.250000 0.250000 0.894781 O\n0.146885 0.146885 0.146885 O\n0.081522 0.038615 0.754652 O\n0.961385 0.254652 0.581522 O\n0.750000 0.750000 0.394782 O\n0.418478 0.038615 0.745348 O\n0.418478 0.461385 0.754652 O\n0.853114 0.646885 0.646885 O\n0.754652 0.418478 0.461385 O\n0.918478 0.961385 0.245348 O\n0.538614 0.245348 0.581522 O\n0.745348 0.418478 0.038615 O\n0.646885 0.853114 0.646885 O\n0.105218 0.750000 0.750000 O\n0.961385 0.245348 0.918478 O\n0.250000 0.605218 0.250000 O\n",
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{
"id": "jvasp-26766",
"created_at": "2022-09-04T14:38:28.742849Z",
"updated_at": "2022-09-04T14:38:28.742876Z",
"structure_string": "Er12 Si4 Se8 O40 F4\n1.0\n5.853451 0.000000 0.000000\n0.000000 10.285168 0.000000\n0.000000 0.000000 15.393582\nEr Si Se O F\n12 4 8 40 4\ndirect\n0.928074 0.886561 0.652729 Er\n0.250000 0.125963 0.000000 Er\n0.571926 0.886561 0.347271 Er\n0.928074 0.613439 0.847271 Er\n0.750000 0.874037 0.000000 Er\n0.571926 0.613439 0.152729 Er\n0.071926 0.386561 0.152729 Er\n0.428074 0.113439 0.652729 Er\n0.750000 0.625963 0.500000 Er\n0.250000 0.374037 0.500000 Er\n0.071926 0.113439 0.347271 Er\n0.428074 0.386561 0.847271 Er\n0.750000 0.357346 0.000000 Si\n0.250000 0.857346 0.500000 Si\n0.750000 0.142654 0.500000 Si\n0.250000 0.642654 0.000000 Si\n0.035377 0.616302 0.324778 Se\n0.464623 0.883698 0.824778 Se\n0.535377 0.383698 0.324778 Se\n0.464623 0.616302 0.675222 Se\n0.964622 0.383698 0.675222 Se\n0.964622 0.116302 0.824778 Se\n0.035377 0.883698 0.175222 Se\n0.535377 0.116302 0.175222 Se\n0.321646 0.281199 0.361106 O\n0.769940 0.446669 0.911048 O\n0.269940 0.553331 0.911048 O\n0.321646 0.218801 0.138894 O\n0.521322 0.273607 0.972308 O\n0.178354 0.281199 0.638894 O\n0.479314 0.513500 0.586397 O\n0.021322 0.726393 0.972308 O\n0.821646 0.718801 0.361106 O\n0.678354 0.781199 0.861106 O\n0.520686 0.486500 0.413603 O\n0.269940 0.946669 0.588952 O\n0.120459 0.032984 0.745181 O\n0.678354 0.718801 0.638894 O\n0.020686 0.513500 0.413603 O\n0.978678 0.273607 0.027691 O\n0.620459 0.967016 0.745181 O\n0.521322 0.226393 0.527691 O\n0.620459 0.532984 0.754819 O\n0.379541 0.467016 0.245181 O\n0.978678 0.226393 0.472308 O\n0.230060 0.946669 0.411048 O\n0.479314 0.986500 0.913603 O\n0.979314 0.013500 0.913603 O\n0.230060 0.553331 0.088952 O\n0.021322 0.773607 0.527691 O\n0.379541 0.032984 0.254819 O\n0.730060 0.446669 0.088952 O\n0.020686 0.986500 0.086397 O\n0.120459 0.467016 0.754819 O\n0.478678 0.726393 0.027691 O\n0.730060 0.053331 0.411048 O\n0.478678 0.773607 0.472308 O\n0.879540 0.967016 0.254819 O\n0.520686 0.013500 0.086397 O\n0.821646 0.781199 0.138894 O\n0.979314 0.486500 0.586397 O\n0.178354 0.218801 0.861106 O\n0.879540 0.532984 0.245181 O\n0.769940 0.053331 0.588952 O\n0.436771 0.750000 0.250000 F\n0.936771 0.250000 0.250000 F\n0.563229 0.250000 0.750000 F\n0.063229 0.750000 0.750000 F\n",
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{
"id": "jvasp-98638",
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"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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