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{
"id": "jvasp-29443",
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"updated_at": "2022-09-04T14:37:54.454990Z",
"structure_string": "Nb4 I4 O8\n1.0\n3.819500 -0.000000 0.000000\n0.000000 3.962279 0.000000\n0.000000 0.000000 21.041706\nNb I O\n4 4 8\ndirect\n0.250000 0.542566 0.932871 Nb\n0.750000 0.042566 0.567129 Nb\n0.750000 0.457434 0.067129 Nb\n0.250000 0.957434 0.432871 Nb\n0.250000 0.996869 0.675723 I\n0.750000 0.003131 0.324277 I\n0.250000 0.503131 0.175723 I\n0.750000 0.496869 0.824277 I\n0.250000 0.494848 0.425844 O\n0.750000 0.505152 0.574156 O\n0.250000 0.005152 0.925845 O\n0.750000 0.005658 0.467681 O\n0.250000 0.994342 0.532319 O\n0.250000 0.505658 0.032319 O\n0.750000 0.994849 0.074156 O\n0.750000 0.494342 0.967681 O\n",
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{
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"structure_string": "Mg4 Fe4 O8\n1.0\n2.864468 0.000072 0.008692\n1.429911 7.709655 0.048109\n1.407888 0.748005 7.850262\nMg Fe O\n4 4 8\ndirect\n0.668349 0.671509 0.971901 Mg\n0.315530 0.300287 0.048184 Mg\n0.422795 0.882257 0.252753 Mg\n0.561079 0.089541 0.767325 Mg\n0.934813 0.411875 0.697902 Fe\n0.311248 0.727408 0.630266 Fe\n0.672653 0.244389 0.389816 Fe\n0.049053 0.559917 0.322186 Fe\n0.679023 0.443373 0.178459 O\n0.099144 0.199152 0.581814 O\n0.884757 0.772643 0.438270 O\n0.304859 0.528423 0.841626 O\n0.936537 0.201502 0.904734 O\n0.690066 0.840003 0.760112 O\n0.047338 0.770296 0.115347 O\n0.293831 0.131793 0.259969 O\n",
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{
"id": "jvasp-22213",
"created_at": "2022-09-04T14:37:34.822694Z",
"updated_at": "2022-09-04T14:37:34.822728Z",
"structure_string": "Lu10 Sb2 Pd4\n1.0\n6.790613 -0.000000 -3.344818\n-1.647540 6.587719 -3.344818\n-0.024225 -0.031029 8.516343\nLu Sb Pd\n10 2 4\ndirect\n0.202517 0.011828 0.714345 Lu\n0.011829 0.511828 0.714345 Lu\n0.702517 0.202517 0.714345 Lu\n0.988171 0.488172 0.285654 Lu\n0.511829 0.702517 0.714345 Lu\n0.797483 0.988172 0.285654 Lu\n0.488172 0.297483 0.285655 Lu\n0.297483 0.797483 0.285655 Lu\n0.500000 0.500000 -0.000000 Lu\n0.000000 0.000000 0.000000 Lu\n0.250000 0.250000 0.500000 Sb\n0.750000 0.750000 0.499999 Sb\n0.361042 0.861042 -0.000000 Pd\n0.138958 0.361042 -0.000000 Pd\n0.638958 0.138958 -0.000000 Pd\n0.861042 0.638958 -0.000001 Pd\n",
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{
"id": "jvasp-32341",
"created_at": "2022-09-04T14:38:00.262996Z",
"updated_at": "2022-09-04T14:38:00.263016Z",
"structure_string": "Se8 Cl8\n1.0\n4.761862 0.084093 0.000000\n-0.743733 7.109911 0.000000\n0.000000 0.000000 13.653589\nSe Cl\n8 8\ndirect\n0.092674 0.392603 0.140625 Se\n0.407327 0.607397 0.640625 Se\n0.907327 0.607397 0.859375 Se\n0.592673 0.392603 0.359375 Se\n0.813757 0.204089 0.042919 Se\n0.686243 0.795911 0.542919 Se\n0.186244 0.795911 0.957081 Se\n0.313757 0.204089 0.457081 Se\n0.872968 0.666057 0.146766 Cl\n0.627032 0.333943 0.646766 Cl\n0.127033 0.333943 0.853234 Cl\n0.372968 0.666057 0.353234 Cl\n0.492884 0.050117 0.147562 Cl\n0.007116 0.949883 0.647562 Cl\n0.507116 0.949883 0.852438 Cl\n0.992884 0.050116 0.352438 Cl\n",
"nsites": 16,
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{
"id": "jvasp-12354",
"created_at": "2022-09-04T14:37:43.911146Z",
"updated_at": "2022-09-04T14:37:43.911164Z",
"structure_string": "U4 Fe2 S10\n1.0\n5.525626 -0.000000 -2.378384\n-0.329064 6.925424 -0.764504\n0.108017 -0.049216 7.858903\nU Fe S\n4 2 10\ndirect\n0.314554 0.583981 0.217726 U\n0.096829 0.916018 0.782275 U\n0.903173 0.083981 0.217726 U\n0.685448 0.416018 0.782275 U\n0.000001 0.499999 0.500000 Fe\n0.500001 -0.000000 0.500000 Fe\n0.306861 0.308791 0.443064 S\n0.863798 0.191208 0.556937 S\n0.693141 0.691208 0.556937 S\n0.136204 0.808791 0.443064 S\n0.525315 0.074690 0.815307 S\n0.710009 0.425309 0.184694 S\n0.902391 0.750000 0.000001 S\n0.097610 0.250000 0.000000 S\n0.289993 0.574690 0.815307 S\n0.474687 0.925309 0.184694 S\n",
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},
{
"id": "jvasp-54509",
"created_at": "2022-09-04T14:37:54.527294Z",
"updated_at": "2022-09-04T14:37:54.527312Z",
"structure_string": "Mn8 B8\n1.0\n6.675964 -0.000000 -0.000000\n0.000000 6.675964 -0.000000\n-0.000000 0.000000 3.957619\nMn B\n8 8\ndirect\n0.131326 0.368673 0.131248 Mn\n0.368673 0.131326 0.368752 Mn\n0.131326 0.631326 0.631249 Mn\n0.631326 0.131326 0.868752 Mn\n0.868673 0.631326 0.131248 Mn\n0.368673 0.868673 0.868752 Mn\n0.868673 0.368673 0.631249 Mn\n0.631326 0.868673 0.368752 Mn\n0.322985 0.822985 0.371991 B\n0.822985 0.322985 0.128009 B\n0.177015 0.677014 0.128009 B\n0.822985 0.677014 0.628009 B\n0.677014 0.822985 0.871992 B\n0.322985 0.177015 0.871992 B\n0.177015 0.322985 0.628009 B\n0.677014 0.177015 0.371991 B\n",
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{
"id": "jvasp-20784",
"created_at": "2022-09-04T14:38:00.153565Z",
"updated_at": "2022-09-04T14:38:00.153589Z",
"structure_string": "Ti12 O4\n1.0\n2.570166 -4.451658 0.000000\n2.570166 4.451658 0.000000\n-0.000000 0.000000 9.493845\nTi O\n12 4\ndirect\n0.671379 0.666377 0.617024 Ti\n0.333624 0.005001 0.617024 Ti\n0.666377 0.671379 0.117024 Ti\n0.005001 0.333624 0.117024 Ti\n0.328623 0.995000 0.117024 Ti\n0.005002 0.671378 0.382976 Ti\n0.328623 0.333624 0.382976 Ti\n0.666378 0.995000 0.382976 Ti\n0.995000 0.328623 0.617024 Ti\n0.671378 0.005002 0.882977 Ti\n0.995000 0.666378 0.882977 Ti\n0.333624 0.328623 0.882977 Ti\n0.333334 0.666668 0.250000 O\n0.666668 0.333334 0.750000 O\n0.000000 0.000000 0.250000 O\n0.000000 0.000000 0.750000 O\n",
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"spacegroup": 163
},
{
"id": "jvasp-4310",
"created_at": "2022-09-04T14:38:01.372766Z",
"updated_at": "2022-09-04T14:38:01.372789Z",
"structure_string": "Fe10 Si6\n1.0\n3.307115 -5.728092 0.000000\n3.307115 5.728092 0.000000\n0.000000 0.000000 4.682090\nFe Si\n10 6\ndirect\n0.236884 0.000000 0.250000 Fe\n0.763117 0.000001 0.750000 Fe\n0.236884 0.236884 0.750000 Fe\n0.000000 0.236884 0.250000 Fe\n0.763117 0.763117 0.250000 Fe\n0.000001 0.763117 0.750000 Fe\n0.333334 0.666668 0.500000 Fe\n0.666668 0.333334 0.000000 Fe\n0.666668 0.333334 0.500000 Fe\n0.333334 0.666668 0.000000 Fe\n0.000001 0.604469 0.250000 Si\n0.604470 0.604470 0.750000 Si\n0.395531 0.000000 0.750000 Si\n0.604469 0.000001 0.250000 Si\n0.395531 0.395531 0.250000 Si\n0.000000 0.395531 0.750000 Si\n",
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{
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"created_at": "2022-09-04T14:37:34.962246Z",
"updated_at": "2022-09-04T14:37:34.962260Z",
"structure_string": "Sc4 Si8 Rh4\n1.0\n4.055996 -0.000000 0.000000\n0.000000 6.362651 0.000000\n0.000000 0.000000 9.600618\nSc Si Rh\n4 8 4\ndirect\n0.250000 0.736823 0.816625 Sc\n0.250000 0.236823 0.683376 Sc\n0.750001 0.263177 0.183376 Sc\n0.750001 0.763177 0.316624 Sc\n0.250000 0.733723 0.526789 Si\n0.750001 0.266277 0.473211 Si\n0.250000 0.233723 0.973211 Si\n0.750001 0.766277 0.026789 Si\n0.250000 0.459166 0.340253 Si\n0.750001 0.040834 0.840253 Si\n0.250000 0.959166 0.159747 Si\n0.750001 0.540834 0.659747 Si\n0.750001 0.414319 0.901581 Rh\n0.250000 0.585681 0.098419 Rh\n0.750001 0.914319 0.598419 Rh\n0.250000 0.085681 0.401581 Rh\n",
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{
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"created_at": "2022-09-04T14:37:52.872724Z",
"updated_at": "2022-09-04T14:37:52.872751Z",
"structure_string": "Cu6 P2 S8\n1.0\n6.101212 0.000000 0.000000\n0.000000 6.350443 0.000000\n0.000000 0.000000 7.285544\nCu P S\n6 2 8\ndirect\n0.912632 0.824324 0.253272 Cu\n0.412632 0.175675 0.246728 Cu\n0.412632 0.175675 0.753271 Cu\n0.912632 0.824324 0.746728 Cu\n0.404051 0.651223 0.500000 Cu\n0.904051 0.348777 0.000000 Cu\n0.401662 0.674564 0.000000 P\n0.901662 0.325435 0.500000 P\n0.286528 0.832204 0.762909 S\n0.786528 0.167795 0.737090 S\n0.781088 0.634818 0.500000 S\n0.281088 0.365181 0.000000 S\n0.786528 0.167795 0.262909 S\n0.286528 0.832204 0.237090 S\n0.745636 0.679066 0.000000 S\n0.245636 0.320933 0.500000 S\n",
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{
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"updated_at": "2022-09-04T14:37:52.290749Z",
"structure_string": "Al4 H4 O8\n1.0\n2.869446 0.000000 0.000000\n-0.000000 4.415954 0.000000\n0.000000 0.000000 9.484903\nAl H O\n4 4 8\ndirect\n0.250000 0.451065 0.356786 Al\n0.250000 0.048934 0.856786 Al\n0.750001 0.548934 0.643214 Al\n0.750001 0.951065 0.143214 Al\n0.250000 0.086699 0.590857 H\n0.250000 0.413300 0.090858 H\n0.750001 0.913300 0.409142 H\n0.750001 0.586699 0.909142 H\n0.250000 0.795158 0.697488 O\n0.250000 0.704840 0.197488 O\n0.750001 0.204841 0.302512 O\n0.750001 0.295159 0.802512 O\n0.250000 0.303115 0.554578 O\n0.250000 0.196884 0.054578 O\n0.750001 0.696884 0.445422 O\n0.750001 0.803115 0.945422 O\n",
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},
{
"id": "jvasp-39524",
"created_at": "2022-09-04T14:37:42.707930Z",
"updated_at": "2022-09-04T14:37:42.707960Z",
"structure_string": "Fe4 Sb12\n1.0\n-4.598236 -4.598236 4.598236\n-4.598236 4.598236 -4.598236\n4.598236 -4.598236 -4.598236\nFe Sb\n4 12\ndirect\n0.500000 0.500000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.669400 0.840615 0.510013 Sb\n0.840615 0.510013 0.669400 Sb\n0.510013 0.669400 0.840615 Sb\n0.669400 0.159386 0.828787 Sb\n0.840615 0.171214 0.330601 Sb\n0.159386 0.828787 0.669400 Sb\n0.171214 0.330601 0.840615 Sb\n0.159386 0.489988 0.330601 Sb\n0.330601 0.159386 0.489988 Sb\n0.489988 0.330601 0.159386 Sb\n0.330601 0.840615 0.171214 Sb\n0.828787 0.669400 0.159386 Sb\n",
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}
]
}