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{
"id": "jvasp-9175",
"created_at": "2022-09-04T14:37:09.808279Z",
"updated_at": "2022-09-04T14:37:09.808297Z",
"structure_string": "Zn8 Sb8\n1.0\n6.322838 0.000000 0.000000\n0.000000 7.807475 0.000000\n0.000000 0.000000 8.195327\nZn Sb\n8 8\ndirect\n0.456157 0.107910 0.872744 Zn\n0.956157 0.392090 0.127257 Zn\n0.543843 0.607911 0.627257 Zn\n0.043843 0.892090 0.372744 Zn\n0.543843 0.892090 0.127257 Zn\n0.043843 0.607911 0.872744 Zn\n0.456157 0.392090 0.372744 Zn\n0.956157 0.107910 0.627257 Zn\n0.141801 0.083505 0.109522 Sb\n0.641801 0.416495 0.890479 Sb\n0.858199 0.583506 0.390479 Sb\n0.358199 0.916495 0.609522 Sb\n0.858199 0.916495 0.890479 Sb\n0.358199 0.583506 0.109522 Sb\n0.141801 0.416495 0.609522 Sb\n0.641801 0.083505 0.390479 Sb\n",
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{
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"structure_string": "Ag4 Cl4 O8\n1.0\n6.000444 0.000000 0.000000\n0.000000 6.102189 0.000000\n0.000000 0.000000 6.656250\nAg Cl O\n4 4 8\ndirect\n0.500000 0.250000 0.104224 Ag\n0.000000 0.250000 0.895776 Ag\n0.500000 0.750000 0.895776 Ag\n0.000000 0.750000 0.104224 Ag\n0.000000 0.750000 0.621618 Cl\n0.000000 0.250000 0.378382 Cl\n0.500000 0.750000 0.378382 Cl\n0.500000 0.250000 0.621618 Cl\n0.653925 0.396250 0.765503 O\n0.153926 0.103750 0.234497 O\n0.846074 0.396250 0.234497 O\n0.346074 0.103750 0.765503 O\n0.346074 0.603751 0.234497 O\n0.653925 0.896250 0.234497 O\n0.153926 0.603751 0.765503 O\n0.846074 0.896250 0.765503 O\n",
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{
"id": "jvasp-11376",
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"updated_at": "2022-09-04T14:37:06.862294Z",
"structure_string": "K4 Ta2 Ag2 S8\n1.0\n5.741353 0.000000 1.503223\n2.870676 6.558094 0.751612\n0.027550 -0.000000 11.610542\nK Ta Ag S\n4 2 2 8\ndirect\n0.193412 0.250000 0.613175 K\n0.806588 0.750000 0.386825 K\n0.556588 0.250000 0.886825 K\n0.443413 0.750000 0.113175 K\n0.625000 0.750000 0.750000 Ta\n0.375000 0.250000 0.250000 Ta\n0.125001 0.750000 0.750000 Ag\n0.875000 0.250000 0.250000 Ag\n0.883932 0.539689 0.869124 S\n0.792745 0.960310 0.630875 S\n0.576380 0.539689 0.630876 S\n0.246945 0.960310 0.869124 S\n0.116068 0.460311 0.130876 S\n0.753056 0.039689 0.130876 S\n0.423621 0.460311 0.369124 S\n0.207255 0.039689 0.369124 S\n",
"nsites": 16,
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},
{
"id": "jvasp-10687",
"created_at": "2022-09-04T14:37:06.542649Z",
"updated_at": "2022-09-04T14:37:06.542678Z",
"structure_string": "Ba2 Ga2 B2 O6 F4\n1.0\n2.464748 -4.269068 -0.000000\n2.464748 4.269068 0.000000\n0.000000 0.000000 9.624282\nBa Ga B O F\n2 2 2 6 4\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Ba\n0.666668 0.333333 0.750000 Ga\n0.333333 0.666668 0.250000 Ga\n0.333333 0.666668 0.750000 B\n0.666668 0.333333 0.250000 B\n0.066326 0.375080 0.750000 O\n0.308754 0.933675 0.750000 O\n0.375080 0.308754 0.250000 O\n0.691247 0.066326 0.250000 O\n0.624921 0.691247 0.750000 O\n0.933675 0.624921 0.250000 O\n0.666668 0.333333 0.957016 F\n0.333333 0.666668 0.457016 F\n0.666668 0.333333 0.542984 F\n0.333333 0.666668 0.042984 F\n",
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],
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{
"id": "jvasp-11009",
"created_at": "2022-09-04T14:37:10.167361Z",
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"structure_string": "Y4 Cu4 S8\n1.0\n3.962986 0.000000 0.000000\n0.000000 6.272162 0.000000\n0.000000 0.000000 13.429740\nY Cu S\n4 4 8\ndirect\n0.249752 0.750724 0.633770 Y\n0.749752 0.749275 0.366230 Y\n0.750249 0.250724 0.866230 Y\n0.250249 0.249276 0.133770 Y\n0.750496 0.627907 0.046713 Cu\n0.249505 0.127907 0.453287 Cu\n0.250496 0.872093 0.953287 Cu\n0.749505 0.372093 0.546713 Cu\n0.749775 0.511380 0.705521 S\n0.249774 0.988620 0.294479 S\n0.250226 0.011380 0.794479 S\n0.750227 0.488620 0.205521 S\n0.749721 0.994730 0.539982 S\n0.750280 0.005270 0.039982 S\n0.250280 0.494730 0.960018 S\n0.249721 0.505270 0.460018 S\n",
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},
{
"id": "jvasp-50514",
"created_at": "2022-09-04T14:37:06.207946Z",
"updated_at": "2022-09-04T14:37:06.207963Z",
"structure_string": "Rb8 Sn2 O6\n1.0\n3.327176 9.650835 -0.147444\n-3.327176 9.650835 0.147444\n-2.598005 0.000000 6.475796\nRb Sn O\n8 2 6\ndirect\n0.597698 0.721870 0.808945 Rb\n0.457609 0.486858 0.721543 Rb\n0.037016 0.062904 0.741994 Rb\n0.347855 0.233119 0.880270 Rb\n0.278131 0.402302 0.308944 Rb\n0.513142 0.542391 0.221543 Rb\n0.937096 0.962985 0.241994 Rb\n0.766882 0.652145 0.380270 Rb\n0.875244 0.846894 0.722052 Sn\n0.153106 0.124756 0.222052 Sn\n0.165463 0.684899 0.947042 O\n0.033681 0.647635 0.542416 O\n0.315101 0.834537 0.447042 O\n0.352366 0.966319 0.042415 O\n0.708776 0.150796 0.528426 O\n0.849205 0.291224 0.028426 O\n",
"nsites": 16,
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"formula_full": "Rb8 Sn2 O6",
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"spacegroup": 9
},
{
"id": "jvasp-59615",
"created_at": "2022-09-04T14:37:15.760508Z",
"updated_at": "2022-09-04T14:37:15.760526Z",
"structure_string": "Mn12 P4\n1.0\n4.192648 0.000000 1.488462\n2.096326 6.304891 0.744223\n-0.013036 0.000009 6.685801\nMn P\n12 4\ndirect\n0.341367 0.676073 0.616780 Mn\n0.041854 0.616780 0.323927 Mn\n0.982561 0.383220 0.676072 Mn\n0.634220 0.323927 0.383219 Mn\n0.930553 0.047184 0.607349 Mn\n0.462097 0.607350 0.952815 Mn\n0.022263 0.392650 0.047184 Mn\n0.585088 0.952816 0.392650 Mn\n0.132261 0.976879 0.186976 Mn\n0.680764 0.186977 0.023121 Mn\n0.890862 0.813023 0.976878 Mn\n0.296115 0.023121 0.813023 Mn\n0.203271 0.250347 0.330723 P\n0.466005 0.330723 0.749652 P\n0.546382 0.669277 0.250347 P\n0.784342 0.749653 0.669276 P\n",
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"formula_full": "Mn12 P4",
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},
{
"id": "jvasp-10192",
"created_at": "2022-09-04T14:37:06.753855Z",
"updated_at": "2022-09-04T14:37:06.753874Z",
"structure_string": "Li8 As8\n1.0\n0.000000 5.804052 0.011798\n5.229165 0.000000 0.000000\n0.000000 -5.053888 -9.555579\nLi As\n8 8\ndirect\n0.227241 0.169011 0.556103 Li\n0.772758 0.669011 0.943897 Li\n0.772758 0.830990 0.443897 Li\n0.227242 0.330990 0.056103 Li\n0.238622 0.919960 0.833362 Li\n0.761377 0.419959 0.666638 Li\n0.761377 0.080041 0.166638 Li\n0.238622 0.580042 0.333362 Li\n0.285305 0.668587 0.598228 As\n0.714694 0.168586 0.901772 As\n0.714694 0.331414 0.401772 As\n0.285305 0.831415 0.098228 As\n0.298581 0.429189 0.802302 As\n0.701418 0.929190 0.697698 As\n0.701418 0.570812 0.197698 As\n0.298581 0.070811 0.302302 As\n",
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"formula_full": "Li8 As8",
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{
"id": "jvasp-9719",
"created_at": "2022-09-04T14:37:16.406312Z",
"updated_at": "2022-09-04T14:37:16.406346Z",
"structure_string": "Tl2 Pd6 O8\n1.0\n5.935938 -0.000000 3.427115\n1.978646 5.596456 3.427115\n0.000000 -0.000000 6.854231\nTl Pd O\n2 6 8\ndirect\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Tl\n0.000000 0.000000 0.500000 Pd\n0.000000 0.500000 0.000000 Pd\n0.000000 0.500000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n0.500000 0.000000 0.000000 Pd\n0.500000 0.000000 0.500000 Pd\n0.857624 0.857624 0.857624 O\n0.142377 0.142377 0.572870 O\n0.142377 0.572871 0.142377 O\n0.572871 0.142377 0.142377 O\n0.857624 0.427130 0.857624 O\n0.427130 0.857624 0.857624 O\n0.142377 0.142377 0.142377 O\n0.857624 0.857624 0.427130 O\n",
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"spacegroup": 225
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{
"id": "jvasp-47955",
"created_at": "2022-09-04T14:37:18.610476Z",
"updated_at": "2022-09-04T14:37:18.610500Z",
"structure_string": "Li4 Ni2 Sn2 O8\n1.0\n6.060154 -0.104947 -0.038320\n0.264113 6.055306 -0.038320\n-3.187312 -2.998870 4.379833\nLi Ni Sn O\n4 2 2 8\ndirect\n-0.000000 0.500000 0.500000 Li\n0.499999 0.500000 0.500000 Li\n0.500000 -0.000000 -0.000000 Li\n0.499999 0.500000 -0.000000 Li\n-0.000000 0.500000 -0.000000 Ni\n0.500000 -0.000001 0.500000 Ni\n-0.000000 -0.000000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.242902 0.757080 0.013046 O\n0.238737 0.240126 0.489443 O\n0.242919 0.757098 0.486954 O\n0.759872 0.761262 0.010557 O\n0.240126 0.238737 0.989443 O\n0.757079 0.242902 0.513045 O\n0.761261 0.759873 0.510556 O\n0.757097 0.242919 0.986954 O\n",
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{
"id": "jvasp-10114",
"created_at": "2022-09-04T14:37:31.910522Z",
"updated_at": "2022-09-04T14:37:31.910547Z",
"structure_string": "Zn8 As8\n1.0\n5.789104 -0.000000 0.000000\n0.000000 7.317375 0.000000\n0.000000 0.000000 7.629480\nZn As\n8 8\ndirect\n0.543675 0.617942 0.633473 Zn\n0.043676 0.882059 0.366527 Zn\n0.456324 0.117941 0.866527 Zn\n0.956324 0.382059 0.133473 Zn\n0.456324 0.382059 0.366527 Zn\n0.956324 0.117941 0.633473 Zn\n0.543675 0.882059 0.133473 Zn\n0.043676 0.617942 0.866527 Zn\n0.136586 0.074396 0.101960 As\n0.636586 0.425604 0.898040 As\n0.863413 0.574397 0.398040 As\n0.363413 0.925604 0.601960 As\n0.863413 0.925604 0.898040 As\n0.363413 0.574397 0.101960 As\n0.136586 0.425604 0.601960 As\n0.636586 0.074396 0.398040 As\n",
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{
"id": "jvasp-103966",
"created_at": "2022-09-04T14:37:17.491533Z",
"updated_at": "2022-09-04T14:37:17.491555Z",
"structure_string": "Cd1 H6 C5 O4\n1.0\n4.686276 0.016206 -0.219024\n-1.301730 5.228877 -1.039271\n-0.046054 0.191491 6.127223\nCd H C O\n1 6 5 4\ndirect\n0.310235 0.736038 0.794859 Cd\n0.566733 -0.002472 0.316638 H\n0.684641 0.244077 0.542972 H\n0.167767 0.162018 0.259339 H\n0.004949 0.236690 0.928495 H\n0.085299 0.451855 0.365273 H\n0.652743 0.102020 0.005468 H\n0.882747 0.930938 0.543139 C\n0.764418 0.111646 0.420107 C\n0.986495 0.255967 0.280971 C\n0.845885 0.262578 0.049466 C\n0.751695 0.502518 0.019270 C\n0.713103 0.730543 0.583289 O\n0.159918 0.992296 0.605079 O\n0.941003 0.711673 0.036493 O\n0.475699 0.475419 0.968584 O\n",
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}
]
}