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{
"id": "jvasp-46858",
"created_at": "2022-09-04T14:38:09.291266Z",
"updated_at": "2022-09-04T14:38:09.291286Z",
"structure_string": "Li2 V3 Co1 O8\n1.0\n5.867899 0.062446 0.044156\n2.988029 5.050527 0.044156\n2.988029 1.725139 4.746963\nLi V Co O\n2 3 1 8\ndirect\n0.119962 0.119963 0.119963 Li\n0.503361 0.503362 0.503362 Li\n0.020820 0.490186 0.490186 V\n0.490186 0.490187 0.020821 V\n0.490186 0.020820 0.490186 V\n0.875222 0.875224 0.875224 Co\n0.251917 0.251917 0.251917 O\n0.252815 0.718098 0.252816 O\n0.252815 0.252816 0.718097 O\n0.718097 0.252816 0.252816 O\n0.281826 0.751486 0.751486 O\n0.751485 0.751486 0.281828 O\n0.751485 0.281827 0.751486 O\n0.739818 0.739819 0.739819 O\n",
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{
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"updated_at": "2022-09-04T14:38:18.221563Z",
"structure_string": "Mg3 Mn4 O7\n1.0\n-3.079480 -0.000015 -0.000729\n-0.000066 -4.306985 -0.000100\n1.537126 2.153335 10.847669\nMg Mn O\n3 4 7\ndirect\n0.712556 0.716439 0.429219 Mg\n0.570919 0.574751 0.145808 Mg\n0.854096 0.858184 0.712631 Mg\n0.997980 0.001907 0.000108 Mn\n0.141339 0.145155 0.286646 Mn\n0.283746 0.287743 0.571793 Mn\n0.426972 0.431034 0.858332 Mn\n0.142812 0.646649 0.289628 O\n0.282262 0.786256 0.568810 O\n0.420417 0.924495 0.845256 O\n0.004567 0.508443 0.013184 O\n0.712559 0.216449 0.429219 O\n0.571164 0.074979 0.146282 O\n0.853850 0.357940 0.712157 O\n",
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{
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"updated_at": "2022-09-04T14:38:13.041071Z",
"structure_string": "Al4 Cu2 O8\n1.0\n2.776957 4.966405 -0.000000\n-3.047288 4.963454 0.000172\n2.689709 -1.503946 4.671635\nAl Cu O\n4 2 8\ndirect\n0.012338 0.975322 0.987661 Al\n0.237661 0.524677 0.262339 Al\n0.125000 0.250000 0.625000 Al\n0.625000 0.250000 0.625000 Al\n0.625000 0.750000 0.125000 Cu\n0.625000 0.750000 0.625000 Cu\n0.357748 0.789523 0.394763 O\n0.852728 0.789523 0.394763 O\n0.397272 0.710477 0.855238 O\n0.359609 0.280782 0.406296 O\n0.359609 0.280782 0.874487 O\n0.892251 0.710477 0.855238 O\n0.890392 0.219217 0.375514 O\n0.890392 0.219217 0.843705 O\n",
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"formula_anonymous": "AB2C4",
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"spacegroup": 74
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{
"id": "jvasp-57853",
"created_at": "2022-09-04T14:38:18.901207Z",
"updated_at": "2022-09-04T14:38:18.901225Z",
"structure_string": "Yb4 Fe2 S8\n1.0\n6.632110 0.000000 3.829050\n2.210703 6.252813 3.829050\n-0.000000 -0.000000 7.658100\nYb Fe S\n4 2 8\ndirect\n0.500000 0.500000 0.000000 Yb\n0.500000 0.500000 0.500000 Yb\n-0.000000 0.500000 0.500000 Yb\n0.500000 -0.000000 0.500000 Yb\n0.125000 0.125000 0.125000 Fe\n0.875000 0.875000 0.875000 Fe\n0.756291 0.756291 0.756292 S\n0.243709 0.243708 0.768873 S\n0.243708 0.768873 0.243709 S\n0.768873 0.243708 0.243709 S\n0.756291 0.231127 0.756291 S\n0.231127 0.756291 0.756292 S\n0.243709 0.243708 0.243709 S\n0.756291 0.756291 0.231127 S\n",
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{
"id": "jvasp-9919",
"created_at": "2022-09-04T14:38:09.598787Z",
"updated_at": "2022-09-04T14:38:09.598809Z",
"structure_string": "Mn4 Zn2 O8\n1.0\n5.962776 0.002032 0.003819\n-2.856947 5.233793 -0.003481\n-2.857692 -1.844159 4.897494\nMn Zn O\n4 2 8\ndirect\n0.499999 0.500001 0.499998 Mn\n0.000002 0.000000 0.500000 Mn\n0.499994 0.499997 -0.000002 Mn\n-0.000002 0.500002 0.499999 Mn\n0.749992 0.125004 0.874990 Zn\n0.250009 0.874996 0.125012 Zn\n0.483772 0.282053 0.234090 O\n0.952037 0.701706 0.717945 O\n0.547969 0.765902 0.249693 O\n0.983777 0.249677 0.701716 O\n0.452028 0.234094 0.750306 O\n0.047963 0.298293 0.282055 O\n0.016227 0.750323 0.298286 O\n0.516229 0.717946 0.765908 O\n",
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{
"id": "jvasp-53187",
"created_at": "2022-09-04T14:38:13.173196Z",
"updated_at": "2022-09-04T14:38:13.173225Z",
"structure_string": "K4 S2 O8\n1.0\n5.759328 -0.081452 -0.054392\n-2.950203 5.109902 0.108783\n0.072266 -0.125168 7.865397\nK S O\n4 2 8\ndirect\n0.382146 0.691073 0.750000 K\n0.000000 0.000000 0.000000 K\n0.000000 -0.000000 0.500000 K\n0.617856 0.308927 0.250000 K\n0.302651 0.651326 0.250000 S\n0.697350 0.348674 0.750000 S\n0.126408 0.769001 0.250001 O\n0.475591 0.737793 0.403910 O\n0.475591 0.737798 0.096090 O\n0.126407 0.357406 0.249999 O\n0.873594 0.642594 0.750002 O\n0.524410 0.262206 0.596090 O\n0.524410 0.262202 0.903911 O\n0.873594 0.230999 0.749999 O\n",
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"density_atomic": 0.06095882327617533,
"volume": 229.66322588893627,
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"formula_full": "K4 S2 O8",
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"spacegroup": 63
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{
"id": "jvasp-10745",
"created_at": "2022-09-04T14:38:28.479407Z",
"updated_at": "2022-09-04T14:38:28.479430Z",
"structure_string": "Ca2 V4 O8\n1.0\n5.381404 -0.000000 -2.825306\n-1.483321 5.172937 -2.825306\n-0.138036 -0.183181 6.274756\nCa V O\n2 4 8\ndirect\n0.374999 0.625000 0.750000 Ca\n0.624999 0.375000 0.249999 Ca\n-0.000000 0.000000 0.500000 V\n0.000000 0.500000 -0.000000 V\n0.499999 0.000000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.775538 0.804156 0.551078 O\n0.753076 0.224461 0.948921 O\n0.195844 0.224461 0.948921 O\n0.224461 0.195845 0.448921 O\n0.224461 0.753078 0.448921 O\n0.246923 0.775539 0.051079 O\n0.775538 0.246923 0.551078 O\n0.804155 0.775539 0.051078 O\n",
"nsites": 14,
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{
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"created_at": "2022-09-04T14:38:13.191987Z",
"updated_at": "2022-09-04T14:38:13.192017Z",
"structure_string": "Mn2 Al4 O8\n1.0\n5.834272 0.000000 0.000000\n2.917136 5.052687 -0.000002\n0.000000 -3.368377 4.763693\nMn Al O\n2 4 8\ndirect\n0.000000 0.000000 0.000000 Mn\n0.750000 0.500000 0.750000 Mn\n0.375000 0.250000 0.375000 Al\n0.375000 0.249999 0.874999 Al\n0.375000 0.750000 0.375000 Al\n0.875000 0.750000 0.375000 Al\n0.141016 0.282039 0.141018 O\n0.173054 0.217961 0.608981 O\n0.141019 0.717961 0.576947 O\n0.141019 0.717962 0.141016 O\n0.608985 0.217961 0.608981 O\n0.576946 0.282039 0.141018 O\n0.608982 0.782039 0.608984 O\n0.608982 0.782040 0.173054 O\n",
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{
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"created_at": "2022-09-04T14:38:12.990889Z",
"updated_at": "2022-09-04T14:38:12.990906Z",
"structure_string": "Rb4 H8 Pt2\n1.0\n5.848212 0.000000 0.000000\n-0.000000 5.848212 0.000000\n0.000000 0.000000 8.337967\nRb H Pt\n4 8 2\ndirect\n0.000000 0.500000 0.250000 Rb\n0.500000 0.000000 0.750000 Rb\n0.000000 0.500000 0.750000 Rb\n0.500000 0.000000 0.250000 Rb\n0.500000 0.500000 0.299832 H\n0.000000 0.000000 0.799832 H\n0.500000 0.500000 0.700169 H\n0.000000 0.000000 0.200168 H\n0.298130 0.701870 0.500000 H\n0.701870 0.298130 0.500000 H\n0.201870 0.201870 0.000000 H\n0.798130 0.798130 0.000000 H\n0.500000 0.500000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n",
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{
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"created_at": "2022-09-04T14:38:05.718879Z",
"updated_at": "2022-09-04T14:38:05.718899Z",
"structure_string": "Zn2 Co4 O8\n1.0\n5.856377 0.029258 -0.051003\n2.953526 5.057142 -0.051003\n2.894991 1.671424 4.727500\nZn Co O\n2 4 8\ndirect\n0.125001 0.624999 0.625000 Zn\n0.625000 0.125000 0.625000 Zn\n0.992283 0.992282 0.007719 Co\n0.257718 0.257718 0.242282 Co\n0.625001 0.625000 0.125001 Co\n0.625001 0.624999 0.625001 Co\n0.396973 0.396973 0.356453 O\n0.402725 0.852768 0.372253 O\n0.396973 0.396972 0.849602 O\n0.852770 0.402724 0.372253 O\n0.397232 0.847274 0.877748 O\n0.847276 0.397230 0.877748 O\n0.853028 0.853027 0.400400 O\n0.853028 0.853026 0.893548 O\n",
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{
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"created_at": "2022-09-04T14:38:18.773804Z",
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"structure_string": "Ca2 Ni4 O8\n1.0\n3.069044 -0.000000 0.000000\n-1.534522 4.806890 -0.000000\n0.000000 -0.000000 9.508172\nCa Ni O\n2 4 8\ndirect\n0.393529 0.787059 0.750000 Ca\n0.606470 0.212941 0.250000 Ca\n0.860550 0.721103 0.069800 Ni\n0.139449 0.278897 0.930200 Ni\n0.860550 0.721103 0.430200 Ni\n0.139449 0.278897 0.569800 Ni\n0.234119 0.468240 0.395335 O\n0.765880 0.531760 0.604664 O\n0.765880 0.531760 0.895335 O\n0.234119 0.468240 0.104665 O\n0.937673 0.875348 0.250000 O\n0.062326 0.124652 0.750000 O\n0.499999 0.000000 0.000000 O\n0.499999 0.000000 0.500000 O\n",
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{
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"created_at": "2022-09-04T14:38:12.962435Z",
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"structure_string": "Na4 W2 O8\n1.0\n5.604397 0.000000 3.235700\n1.868132 5.283876 3.235700\n0.000000 -0.000000 6.471400\nNa W O\n4 2 8\ndirect\n0.500000 -0.000000 0.500000 Na\n-0.000000 0.500000 0.500000 Na\n0.500000 0.500000 -0.000000 Na\n0.500000 0.500000 0.500000 Na\n0.125000 0.125000 0.125000 W\n0.875000 0.875001 0.875000 W\n0.761048 0.761049 0.761048 O\n0.238952 0.238952 0.783143 O\n0.238952 0.783144 0.238952 O\n0.783143 0.238952 0.238952 O\n0.761048 0.216857 0.761048 O\n0.216857 0.761049 0.761048 O\n0.238952 0.238952 0.238952 O\n0.761048 0.761049 0.216857 O\n",
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}
]
}