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{
"id": "jvasp-57539",
"created_at": "2022-09-04T14:37:08.830257Z",
"updated_at": "2022-09-04T14:37:08.830267Z",
"structure_string": "Al6 F18\n1.0\n6.964331 0.016662 0.000000\n-3.466496 6.040330 0.000000\n0.000000 0.000000 7.138501\nAl F\n6 18\ndirect\n0.500000 0.500000 0.000000 Al\n-0.000000 0.500000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.500000 -0.000000 0.500000 Al\n0.500000 -0.000000 0.000000 Al\n-0.000000 0.500000 0.500000 Al\n0.420698 0.210743 0.466271 F\n0.214376 0.785623 0.461766 F\n0.789257 0.579301 0.033729 F\n0.214376 0.785623 0.038234 F\n0.785623 0.214377 0.961766 F\n0.554719 0.005170 0.250000 F\n0.785623 0.214377 0.538234 F\n0.789257 0.579301 0.466271 F\n0.005170 0.554719 0.750000 F\n0.420698 0.210743 0.033729 F\n0.529360 0.470640 0.750000 F\n0.994830 0.445280 0.250000 F\n0.579301 0.789257 0.966271 F\n0.210742 0.420698 0.966271 F\n0.470639 0.529360 0.250000 F\n0.445280 0.994830 0.750000 F\n0.579301 0.789257 0.533729 F\n0.210742 0.420698 0.533729 F\n",
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{
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"structure_string": "Te2 Mo2 W1 Se4\n1.0\n3.406661 -0.000000 0.000000\n-1.703331 2.950256 -0.000000\n-0.000000 -0.000000 29.918692\nTe Mo W Se\n2 2 1 4\ndirect\n0.333350 0.666701 0.409970 Te\n0.333350 0.666701 0.283995 Te\n0.333315 0.666629 0.116514 Mo\n0.333315 0.666629 0.577451 Mo\n0.666683 0.333367 0.346982 W\n0.666644 0.333289 0.061526 Se\n0.666651 0.333301 0.522360 Se\n0.666651 0.333301 0.171605 Se\n0.666644 0.333289 0.632438 Se\n",
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{
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"created_at": "2022-09-04T14:37:19.631578Z",
"updated_at": "2022-09-04T14:37:19.631602Z",
"structure_string": "Mg4 Ta2 Nb4 O16\n1.0\n5.216039 -0.003343 -0.004844\n-0.171398 5.966173 -0.004190\n-0.599259 -2.424944 9.664959\nMg Ta Nb O\n4 2 4 16\ndirect\n0.765528 0.418820 0.552342 Mg\n0.746926 0.861177 0.462062 Mg\n0.233399 0.583649 0.449207 Mg\n0.252216 0.141922 0.539795 Mg\n0.753107 0.655771 0.991153 Ta\n0.243062 0.348054 0.008843 Ta\n0.279759 0.991452 0.233400 Nb\n0.281120 0.755346 0.753598 Nb\n0.717883 0.248359 0.247642 Nb\n0.718352 0.010139 0.767986 Nb\n0.427092 0.298902 0.382353 O\n0.866553 0.546596 0.384408 O\n0.619836 0.157989 0.618386 O\n0.132217 0.456159 0.616596 O\n0.378844 0.844253 0.382598 O\n0.065123 0.922152 0.631649 O\n0.093762 0.673389 0.103202 O\n0.938194 0.799424 0.866161 O\n0.902573 0.330059 0.897852 O\n0.587279 0.451279 0.114536 O\n0.606094 0.912677 0.114092 O\n0.933087 0.080202 0.368799 O\n0.390691 0.091143 0.886987 O\n0.062274 0.203510 0.135353 O\n0.409200 0.550744 0.886430 O\n0.571948 0.703298 0.618680 O\n",
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{
"id": "jvasp-38524",
"created_at": "2022-09-04T14:38:01.176673Z",
"updated_at": "2022-09-04T14:38:01.176691Z",
"structure_string": "K1 Ti5 Se8\n1.0\n0.000000 3.602356 0.000000\n-2.257801 0.000000 8.857371\n9.429486 -1.801178 -0.025269\nK Ti Se\n1 5 8\ndirect\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 Ti\n0.653479 0.994899 0.306961 Ti\n0.708349 0.348983 0.416700 Ti\n0.291651 0.651017 0.583300 Ti\n0.346520 0.005101 0.693040 Ti\n0.573504 0.176058 0.147011 Se\n0.085915 0.816152 0.171829 Se\n0.160778 0.500098 0.321556 Se\n0.241682 0.162123 0.483364 Se\n0.758317 0.837878 0.516636 Se\n0.839221 0.499901 0.678445 Se\n0.914085 0.183849 0.828172 Se\n0.426495 0.823942 0.852989 Se\n",
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{
"id": "jvasp-46700",
"created_at": "2022-09-04T14:38:05.001614Z",
"updated_at": "2022-09-04T14:38:05.001627Z",
"structure_string": "Li12 Mn2 O4 F8\n1.0\n5.541933 0.055978 -0.019391\n-2.261672 -6.597883 0.002325\n-0.030842 0.007708 -8.250604\nLi Mn O F\n12 2 4 8\ndirect\n0.978475 0.006736 0.346201 Li\n0.587314 0.178625 0.159412 Li\n0.307324 0.329004 0.297214 Li\n0.693479 0.170773 0.796266 Li\n0.587961 0.678509 0.339629 Li\n0.020529 0.494013 0.846201 Li\n-0.020529 0.505986 0.153799 Li\n0.412039 0.321490 0.660371 Li\n0.306521 0.829226 0.203734 Li\n0.692676 0.670995 0.702786 Li\n0.412685 0.821374 0.840587 Li\n0.021525 0.993263 0.653799 Li\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.227544 0.076358 0.182008 O\n0.771907 0.423878 0.681663 O\n0.228093 0.576121 0.318337 O\n0.772456 0.923641 0.817992 O\n0.668507 0.438436 0.273647 F\n0.853174 0.292723 0.004025 F\n0.853226 0.792818 0.495413 F\n0.667933 0.938582 0.225870 F\n0.332067 0.061416 0.774130 F\n0.146774 0.207181 0.504587 F\n0.146826 0.707276 -0.004025 F\n0.331492 0.561563 0.726353 F\n",
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"formula_full": "Li12 Mn2 O4 F8",
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{
"id": "jvasp-29013",
"created_at": "2022-09-04T14:37:57.687337Z",
"updated_at": "2022-09-04T14:37:57.687369Z",
"structure_string": "Mo1 W3 Se2 S6\n1.0\n3.225053 0.000000 -0.000000\n-1.612526 2.793017 0.000066\n-0.000000 0.000802 33.372584\nMo W Se S\n1 3 2 6\ndirect\n0.666615 0.333234 0.280602 Mo\n0.333063 0.666129 0.094016 W\n0.333442 0.666885 0.467171 W\n0.666874 0.333751 0.661130 W\n0.333527 0.667054 0.712658 Se\n0.333561 0.667124 0.609544 Se\n0.333265 0.666534 0.327222 S\n0.666410 0.332821 0.047173 S\n0.666795 0.333592 0.420299 S\n0.666381 0.332765 0.140893 S\n0.666751 0.333504 0.514059 S\n0.333304 0.666612 0.233978 S\n",
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"formula_full": "Mo1 W3 Se2 S6",
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{
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"created_at": "2022-09-04T14:36:52.730542Z",
"updated_at": "2022-09-04T14:36:52.730561Z",
"structure_string": "Na6 Yb2\n1.0\n7.533831 -0.000000 0.000000\n-3.766915 6.524489 0.000000\n-0.000000 -0.000000 6.115267\nYb Na\n2 6\ndirect\n0.333333 0.666667 0.750000 Yb\n0.666666 0.333333 0.250000 Yb\n0.163314 0.326629 0.250000 Na\n0.673371 0.836686 0.250000 Na\n0.163313 0.836686 0.250000 Na\n0.836686 0.673372 0.750000 Na\n0.326628 0.163314 0.750000 Na\n0.836686 0.163314 0.750000 Na\n",
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{
"id": "jvasp-101747",
"created_at": "2022-09-04T14:36:48.902137Z",
"updated_at": "2022-09-04T14:36:48.902168Z",
"structure_string": "Al4 Ga1 Sb5\n1.0\n5.990037 0.002302 -9.973745\n-0.232269 4.314358 -10.802245\n0.001686 -0.002302 11.634265\nAl Ga Sb\n4 1 5\ndirect\n0.400255 0.400180 0.000075 Al\n0.799880 0.800194 0.999689 Al\n0.199494 0.199807 0.999688 Al\n0.599895 0.599820 0.000076 Al\n0.000337 0.000000 0.000337 Ga\n0.750853 0.500000 0.250854 Sb\n0.150253 0.900208 0.250046 Sb\n0.549544 0.299946 0.249599 Sb\n0.949653 0.700054 0.249599 Sb\n0.349838 0.099792 0.250046 Sb\n",
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{
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"created_at": "2022-09-04T14:37:28.227614Z",
"updated_at": "2022-09-04T14:37:28.227633Z",
"structure_string": "Dy4 Sb4 O14\n1.0\n-0.000000 5.316757 5.316757\n5.316757 -0.000000 5.316757\n5.316757 5.316757 0.000000\nDy Sb O\n4 4 14\ndirect\n0.500000 0.000000 0.500000 Dy\n0.500000 0.500000 0.000000 Dy\n0.000000 0.500000 0.500000 Dy\n0.500000 0.500000 0.500000 Dy\n0.000000 0.000000 0.000000 Sb\n0.500000 0.000000 0.000000 Sb\n0.000000 0.500000 0.000000 Sb\n0.000000 0.000000 0.500000 Sb\n0.905119 0.344882 0.905119 O\n0.625000 0.625000 0.625000 O\n0.905119 0.905119 0.344882 O\n0.344882 0.344882 0.905119 O\n0.344882 0.905119 0.344882 O\n0.655119 0.094882 0.655119 O\n0.094882 0.655119 0.094882 O\n0.094882 0.094882 0.655119 O\n0.655119 0.655119 0.094882 O\n0.094882 0.655119 0.655119 O\n0.905119 0.344882 0.344882 O\n0.655119 0.094882 0.094882 O\n0.375000 0.375000 0.375000 O\n0.344882 0.905119 0.905119 O\n",
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{
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"created_at": "2022-09-04T14:37:11.180720Z",
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"structure_string": "Tb4 Cu4 S8\n1.0\n0.000000 6.377058 0.009707\n7.029975 0.000000 0.000000\n0.000000 -0.863632 -6.705889\nTb Cu S\n4 4 8\ndirect\n0.306595 0.047891 0.698576 Tb\n0.693406 0.547891 0.801423 Tb\n0.693406 0.952110 0.301423 Tb\n0.306595 0.452110 0.198576 Tb\n0.081485 0.840012 0.051157 Cu\n0.918515 0.159989 0.948842 Cu\n0.918515 0.340012 0.448842 Cu\n0.081485 0.659989 0.551157 Cu\n0.426183 0.726494 0.501186 S\n0.573817 0.226494 0.998814 S\n0.573817 0.273506 0.498814 S\n0.426183 0.773507 0.001186 S\n0.093666 0.386768 0.783297 S\n0.093666 0.113232 0.283297 S\n0.906335 0.613232 0.216702 S\n0.906335 0.886769 0.716702 S\n",
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{
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"created_at": "2022-09-04T14:38:28.904967Z",
"updated_at": "2022-09-04T14:38:28.904981Z",
"structure_string": "Mn6 F16\n1.0\n6.387784 0.026243 0.000144\n3.216433 5.518968 -0.000144\n-0.000178 0.000307 8.545942\nMn F\n6 16\ndirect\n0.167949 0.167926 0.752478 Mn\n0.167973 0.666538 0.751542 Mn\n0.333462 0.832026 0.251542 Mn\n0.666559 0.167954 0.751534 Mn\n0.832046 0.333440 0.251534 Mn\n0.832074 0.832051 0.252478 Mn\n0.865472 0.293927 0.647593 F\n0.531628 0.955007 0.358038 F\n0.662661 0.662634 0.119175 F\n0.521194 0.521197 0.358594 F\n0.293974 0.865439 0.647594 F\n0.706073 0.134527 0.147593 F\n0.478802 0.478805 0.858594 F\n0.134561 0.706025 0.147594 F\n0.468384 0.045004 0.858035 F\n0.954996 0.531615 0.358035 F\n0.044992 0.468372 0.858038 F\n0.145829 0.145774 0.147192 F\n0.997933 0.997924 0.880792 F\n0.002076 0.002065 0.380792 F\n0.337365 0.337338 0.619175 F\n0.854225 0.854171 0.647192 F\n",
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{
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"created_at": "2022-09-04T14:36:12.419091Z",
"updated_at": "2022-09-04T14:36:12.419114Z",
"structure_string": "Ba6 Ni2 O8\n1.0\n6.609160 0.018335 2.859363\n1.885403 6.334555 2.859363\n0.024516 0.018335 7.201136\nBa Ni O\n6 2 8\ndirect\n0.750000 0.335577 0.164425 Ba\n0.164425 0.750001 0.335575 Ba\n0.250000 0.664426 0.835574 Ba\n0.664425 0.835576 0.249999 Ba\n0.835575 0.250002 0.664424 Ba\n0.335576 0.164425 0.750000 Ba\n0.750000 0.750001 0.749999 Ni\n0.250000 0.250000 0.249999 Ni\n0.750000 0.982988 0.517013 O\n0.482986 0.250000 0.017015 O\n0.000000 0.000000 0.000000 O\n0.499999 0.500001 0.500000 O\n0.017014 0.482985 0.250000 O\n0.517015 0.750001 0.982985 O\n0.250000 0.017015 0.482985 O\n0.982985 0.517016 0.749999 O\n",
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]
}