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{
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{
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{
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"structure_string": "Cu8 Se8 O24\n1.0\n7.604611 0.000000 -1.179844\n0.000000 8.353040 0.000000\n0.066181 0.000000 8.567783\nCu Se O\n8 8 24\ndirect\n0.470397 0.797544 0.030988 Cu\n0.411410 0.391649 0.613350 Cu\n0.588590 0.608351 0.386651 Cu\n0.088590 0.891649 0.886650 Cu\n0.529603 0.202456 0.969012 Cu\n0.911410 0.108351 0.113350 Cu\n0.029603 0.297544 0.469012 Cu\n0.970397 0.702456 0.530988 Cu\n0.189856 0.866653 0.295695 Se\n0.677068 0.975292 0.329421 Se\n0.689855 0.633347 0.795695 Se\n0.322932 0.024708 0.670579 Se\n0.810144 0.133347 0.704305 Se\n0.177068 0.524708 0.829420 Se\n0.310144 0.366653 0.204305 Se\n0.822932 0.475292 0.170580 Se\n0.662366 0.931884 0.129069 O\n0.432232 0.424346 0.389247 O\n0.381884 0.789491 0.239006 O\n0.567767 0.575653 0.610754 O\n0.745146 0.790206 0.425093 O\n0.120037 0.930865 0.659790 O\n0.618116 0.210509 0.760994 O\n0.620037 0.569135 0.159791 O\n0.837634 0.431884 0.370932 O\n0.881884 0.710509 0.739006 O\n0.067768 0.924346 0.110754 O\n0.754854 0.290206 0.074907 O\n0.118116 0.289491 0.260994 O\n0.879963 0.069135 0.340210 O\n0.337634 0.068116 0.870931 O\n0.245146 0.709794 0.925093 O\n0.081983 0.694709 0.335636 O\n0.918017 0.305291 0.664364 O\n0.254854 0.209794 0.574907 O\n0.162366 0.568116 0.629068 O\n0.379963 0.430865 0.840210 O\n0.418017 0.194709 0.164364 O\n0.581983 0.805291 0.835636 O\n0.932232 0.075654 0.889247 O\n",
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{
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"structure_string": "Fe4 C18 O18\n1.0\n6.218102 0.000000 -0.000000\n-3.109051 5.385034 0.000000\n-0.000000 -0.000000 15.942303\nFe C O\n4 18 18\ndirect\n0.666667 0.333333 0.828862 Fe\n0.333333 0.666667 0.328862 Fe\n0.333333 0.666667 0.171137 Fe\n0.666667 0.333333 0.671137 Fe\n0.417153 0.331495 0.750000 C\n0.085658 0.417153 0.250000 C\n0.419693 0.080468 0.612371 C\n0.339225 0.419693 0.112371 C\n0.919531 0.339225 0.887628 C\n0.914342 0.582846 0.750000 C\n0.580306 0.919531 0.112371 C\n0.580306 0.919531 0.387629 C\n0.419693 0.080468 0.887628 C\n0.582846 0.668504 0.250000 C\n0.668504 0.085658 0.750000 C\n0.660774 0.580306 0.612371 C\n0.339225 0.419693 0.387629 C\n0.660774 0.580306 0.887628 C\n0.080468 0.660774 0.112371 C\n0.080468 0.660774 0.387629 C\n0.331495 0.914341 0.250000 C\n0.919531 0.339225 0.612371 C\n0.076643 0.345624 0.928040 O\n0.345624 0.268981 0.428040 O\n0.731019 0.076643 0.071960 O\n0.923356 0.654375 0.428040 O\n0.654375 0.731018 0.571960 O\n0.268981 0.923356 0.928040 O\n0.668659 0.896452 0.750000 O\n0.268981 0.923356 0.571960 O\n0.896452 0.227793 0.250000 O\n0.654375 0.731018 0.928040 O\n0.923356 0.654375 0.071960 O\n0.103547 0.772206 0.750000 O\n0.076643 0.345624 0.571960 O\n0.227793 0.331340 0.750000 O\n0.345624 0.268981 0.071960 O\n0.331340 0.103547 0.250000 O\n0.731019 0.076643 0.428040 O\n0.772207 0.668659 0.250000 O\n",
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{
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{
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"elements": [
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"chemical_system": "Br-Os",
"density": 6.062026523772711,
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{
"id": "jvasp-96769",
"created_at": "2022-09-04T14:36:32.293819Z",
"updated_at": "2022-09-04T14:36:32.293844Z",
"structure_string": "Ba6 P8 O26\n1.0\n7.374414 0.019055 -1.916945\n-2.612844 7.797392 -2.763352\n-0.019515 -0.069899 10.645928\nBa P O\n6 8 26\ndirect\n0.500000 -0.000000 -0.000000 Ba\n0.153668 0.233855 0.233464 Ba\n0.846331 0.766144 0.766536 Ba\n-0.000000 -0.000000 0.500000 Ba\n0.368749 0.780907 0.269000 Ba\n0.631250 0.219092 0.730999 Ba\n0.157424 0.179659 0.857185 P\n0.842575 0.820340 0.142815 P\n0.678185 0.210717 0.368589 P\n0.321814 0.789282 0.631411 P\n0.337848 0.454341 0.634776 P\n0.849624 0.480773 0.135346 P\n0.150375 0.519226 0.864654 P\n0.662151 0.545658 0.365223 P\n0.462703 0.482249 0.260187 O\n0.059739 0.501997 0.176859 O\n0.940260 0.498002 0.823141 O\n0.184183 0.452588 0.714303 O\n0.815816 0.547411 0.285697 O\n0.537296 0.517750 0.739813 O\n0.296362 0.159107 0.777249 O\n0.715509 0.305640 0.032001 O\n0.703636 0.840892 0.222750 O\n0.947060 0.102403 0.757897 O\n0.052939 0.897596 0.242102 O\n0.188178 0.115808 0.976210 O\n0.811821 0.884191 0.023790 O\n0.200397 0.388064 0.933213 O\n0.799602 0.611935 0.066787 O\n0.722527 0.722733 0.481231 O\n0.710534 0.151878 0.490503 O\n0.829382 0.208935 0.299400 O\n0.170617 0.791064 0.700600 O\n0.472139 0.119107 0.262421 O\n0.527860 0.880892 0.737579 O\n0.694631 0.418164 0.443267 O\n0.305368 0.581835 0.556732 O\n0.284490 0.694359 0.967999 O\n0.289465 0.848121 0.509497 O\n0.277471 0.277266 0.518769 O\n",
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{
"id": "jvasp-29452",
"created_at": "2022-09-04T14:37:02.879129Z",
"updated_at": "2022-09-04T14:37:02.879153Z",
"structure_string": "Cu4 S16 Br4 N16\n1.0\n6.921146 -0.019023 0.000000\n-2.490589 8.800026 0.000000\n0.000000 0.000000 11.751153\nCu S Br N\n4 16 4 16\ndirect\n0.136738 0.421791 0.168116 Cu\n0.863263 0.578209 0.831884 Cu\n0.363262 0.578209 0.668116 Cu\n0.636738 0.421792 0.331884 Cu\n0.974790 0.698051 0.082212 S\n0.889094 0.767120 0.386516 S\n0.304306 0.004570 0.620825 S\n0.260650 0.144311 0.416448 S\n0.195694 0.995431 0.120825 S\n0.025211 0.301950 0.917788 S\n0.474789 0.698051 0.417788 S\n0.804306 0.004570 0.879174 S\n0.610907 0.232881 0.886516 S\n0.695695 0.995431 0.379175 S\n0.110907 0.232881 0.613483 S\n0.525211 0.301950 0.582212 S\n0.739351 0.855690 0.583551 S\n0.389093 0.767120 0.113483 S\n0.760651 0.144311 0.083551 S\n0.239350 0.855690 0.916448 S\n0.975688 0.389541 0.352966 Br\n0.475688 0.389541 0.147034 Br\n0.024313 0.610460 0.647034 Br\n0.524313 0.610460 0.852966 Br\n0.367421 0.922432 0.171553 N\n0.132580 0.077568 0.671553 N\n0.230537 0.008163 0.983734 N\n0.025491 0.727914 0.945181 N\n0.166265 0.642867 0.130624 N\n0.974510 0.272087 0.054819 N\n0.666266 0.642867 0.369376 N\n0.269464 0.991838 0.483734 N\n0.867421 0.922433 0.328446 N\n0.333735 0.357133 0.630624 N\n0.730537 0.008163 0.516266 N\n0.525491 0.727914 0.554819 N\n0.769464 0.991838 0.016266 N\n0.474509 0.272087 0.445181 N\n0.833735 0.357134 0.869376 N\n0.632580 0.077568 0.828446 N\n",
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}
]
}