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{
"id": "jvasp-95704",
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"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-98547",
"created_at": "2022-09-04T14:36:07.990406Z",
"updated_at": "2022-09-04T14:36:07.990419Z",
"structure_string": "Tl8 Cr12 O48\n1.0\n8.803193 -0.000000 0.000000\n-0.000000 8.710918 0.000000\n0.000000 0.000000 13.010389\nTl Cr O\n8 12 48\ndirect\n0.603284 0.247912 0.906931 Tl\n0.603284 0.747912 0.593069 Tl\n0.103284 0.752088 0.906931 Tl\n0.896716 0.747912 0.406931 Tl\n0.103284 0.252088 0.593069 Tl\n0.396716 0.252088 0.406931 Tl\n0.896716 0.247912 0.093069 Tl\n0.396716 0.752088 0.093069 Tl\n0.750000 0.113793 0.500000 Cr\n0.250000 0.386207 0.000000 Cr\n0.750000 0.613793 0.000000 Cr\n0.974812 0.119819 0.832631 Cr\n0.474812 0.380181 0.667369 Cr\n0.250000 0.886207 0.500000 Cr\n0.025187 0.380181 0.332631 Cr\n0.025187 0.880181 0.167369 Cr\n0.525187 0.619819 0.332631 Cr\n0.474812 0.880181 0.832631 Cr\n0.974812 0.619819 0.667369 Cr\n0.525187 0.119819 0.167369 Cr\n0.628885 0.516745 0.260153 O\n0.416084 0.737463 0.262558 O\n0.916084 0.762537 0.237442 O\n0.083916 0.737463 0.737442 O\n0.583916 0.762537 0.762558 O\n0.583916 0.262537 0.737442 O\n0.416084 0.237463 0.237442 O\n0.916084 0.262537 0.262558 O\n0.354193 0.772616 0.575622 O\n0.854193 0.727384 0.924378 O\n0.145807 0.772616 0.424378 O\n0.128885 0.983256 0.239847 O\n0.083916 0.237463 0.762558 O\n0.854193 0.227384 0.575622 O\n0.638004 0.505919 0.928154 O\n0.371114 0.483256 0.739847 O\n0.138004 -0.005919 0.571846 O\n0.861996 0.505919 0.071846 O\n0.361996 -0.005919 0.428154 O\n0.361996 0.494081 0.071846 O\n0.861996 0.005919 0.428154 O\n0.138004 0.494081 0.928154 O\n0.638004 0.005919 0.571846 O\n0.411060 0.010258 0.096572 O\n0.911060 0.489742 0.403428 O\n0.088939 0.010258 0.903428 O\n0.588939 0.489742 0.596572 O\n0.588939 0.989743 0.903428 O\n0.088939 0.510258 0.596572 O\n0.911060 0.989743 0.096572 O\n0.371114 0.983256 0.760153 O\n0.411060 0.510258 0.403428 O\n0.354193 0.272616 0.924378 O\n0.145807 0.272616 0.075622 O\n0.645807 0.227384 0.424378 O\n0.639476 0.727182 0.415637 O\n0.139476 0.772818 0.084363 O\n0.860524 0.727182 0.584363 O\n0.360524 0.772818 0.915637 O\n0.360524 0.272818 0.584363 O\n0.860524 0.227182 0.915637 O\n0.139476 0.272818 0.415637 O\n0.639476 0.227182 0.084363 O\n0.628885 0.016744 0.239847 O\n0.128885 0.483256 0.260153 O\n0.871114 0.016744 0.760153 O\n0.645807 0.727384 0.075622 O\n0.871114 0.516745 0.739847 O\n",
"nsites": 68,
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"chemical_system": "Cr-O-Tl",
"density": 5.038088217149439,
"density_atomic": 0.06815763021978875,
"volume": 997.6872696530023,
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"formula_full": "Tl8 Cr12 O48",
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{
"id": "jvasp-97779",
"created_at": "2022-09-04T14:35:47.138879Z",
"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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"elements": [
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"volume": 677.1670800755387,
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"formula_full": "La4 Cd4 B20 O40",
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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",
"nsites": 68,
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"elements": [
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],
"chemical_system": "Al-H-O-P",
"density": 2.554884132003556,
"density_atomic": 0.10991600513442178,
"volume": 618.6542161611442,
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"formula_full": "Al4 P8 H20 O36",
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},
{
"id": "jvasp-98066",
"created_at": "2022-09-04T14:35:44.875809Z",
"updated_at": "2022-09-04T14:35:44.875832Z",
"structure_string": "B20 Pb8 Cl4 O36\n1.0\n6.605529 0.000000 0.000000\n0.000000 11.403927 0.000000\n0.000000 0.000000 11.428218\nB Pb Cl O\n20 8 4 36\ndirect\n0.811208 0.272647 0.959309 B\n0.201935 0.324628 0.272711 B\n0.979895 0.498653 0.742228 B\n0.852474 0.694710 0.816928 B\n0.479895 -0.001347 0.757772 B\n0.201935 0.675372 0.727289 B\n0.311208 0.772647 0.540692 B\n0.036632 0.721597 0.213025 B\n0.701935 0.175372 0.772712 B\n0.979895 0.501348 0.257772 B\n0.352473 0.194710 0.683072 B\n0.479895 0.001347 0.242228 B\n0.036632 0.278403 0.786975 B\n0.852474 0.305290 0.183072 B\n0.311208 0.227353 0.459308 B\n0.701935 0.824628 0.227289 B\n0.811208 0.727353 0.040692 B\n0.536632 0.221597 0.286975 B\n0.352473 0.805290 0.316928 B\n0.536632 0.778403 0.713025 B\n0.832454 0.739435 0.478775 Pb\n0.000603 0.956863 0.746736 Pb\n0.000603 0.043137 0.253265 Pb\n0.832454 0.260565 0.521225 Pb\n0.332454 0.239435 0.021225 Pb\n0.500603 0.543137 0.246736 Pb\n0.332454 0.760565 0.978775 Pb\n0.500603 0.456863 0.753265 Pb\n0.119345 0.000000 0.000000 Cl\n0.873423 0.000000 0.500000 Cl\n0.373423 0.500000 0.000000 Cl\n0.619345 0.500000 0.500000 Cl\n0.159532 0.548165 0.707999 O\n0.328171 0.933609 0.289195 O\n0.571925 0.777716 0.321080 O\n0.071924 0.722284 0.821080 O\n0.502896 0.792709 0.582930 O\n0.328171 0.066392 0.710805 O\n0.159461 0.258687 0.381380 O\n0.944576 0.381464 0.724961 O\n0.659461 0.241313 0.881380 O\n0.002896 0.292709 0.917071 O\n0.944576 0.618536 0.275039 O\n0.918231 0.821677 0.258220 O\n0.418231 0.678323 0.758220 O\n0.571925 0.222284 0.678920 O\n0.418231 0.321677 0.241780 O\n0.002896 0.707291 0.082930 O\n0.444576 0.118536 0.224961 O\n0.254222 0.266276 0.774586 O\n0.254222 0.733724 0.225414 O\n0.444576 0.881465 0.775039 O\n0.659532 0.951836 0.207999 O\n0.918231 0.178323 0.741780 O\n0.071924 0.277716 0.178920 O\n0.754222 0.766276 0.725414 O\n0.659532 0.048164 0.792001 O\n0.828171 0.566392 0.789196 O\n0.751855 0.718843 0.927634 O\n0.502896 0.207291 0.417070 O\n0.251855 0.218843 0.572367 O\n0.828171 0.433608 0.210805 O\n0.659461 0.758688 0.118620 O\n0.159461 0.741313 0.618620 O\n0.754222 0.233724 0.274586 O\n0.251855 0.781157 0.427634 O\n0.751855 0.281157 0.072367 O\n0.159532 0.451836 0.292001 O\n",
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"formula_full": "B20 Pb8 Cl4 O36",
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{
"id": "jvasp-98257",
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{
"id": "jvasp-98154",
"created_at": "2022-09-04T14:36:14.590521Z",
"updated_at": "2022-09-04T14:36:14.590548Z",
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}