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{
"id": "jvasp-52532",
"created_at": "2022-09-04T14:38:13.041043Z",
"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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{
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"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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"updated_at": "2022-09-04T14:38:32.838006Z",
"structure_string": "Li2 Fe3 Cu1 O8\n1.0\n5.850943 0.121731 0.086077\n3.030894 5.006200 0.086077\n3.030894 1.749888 4.691198\nLi Fe Cu O\n2 3 1 8\ndirect\n0.124263 0.124263 0.124263 Li\n0.875735 0.875737 0.875739 Li\n-0.000001 0.500000 0.500001 Fe\n0.499999 -0.000000 0.500001 Fe\n0.499999 0.500000 0.000001 Fe\n0.499999 0.500000 0.500001 Cu\n0.263229 0.263230 0.263231 O\n0.252306 0.252307 0.712238 O\n0.252306 0.712238 0.252308 O\n0.712237 0.252306 0.252308 O\n0.287761 0.747693 0.747694 O\n0.747692 0.287762 0.747694 O\n0.747692 0.747693 0.287764 O\n0.736768 0.736770 0.736771 O\n",
"nsites": 14,
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"density_atomic": 0.10449326880780574,
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{
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"created_at": "2022-09-04T14:38:12.962435Z",
"updated_at": "2022-09-04T14:38:12.962454Z",
"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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{
"id": "jvasp-45912",
"created_at": "2022-09-04T14:38:12.276761Z",
"updated_at": "2022-09-04T14:38:12.276789Z",
"structure_string": "Li1 Ti4 V1 O8\n1.0\n5.812915 0.013075 -0.014619\n-0.090223 5.877983 0.036609\n-2.843231 -2.944163 4.166530\nLi Ti V O\n1 4 1 8\ndirect\n0.500000 0.000001 0.500000 Li\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.000000 0.500000 0.500000 Ti\n0.500001 0.500000 -0.000000 Ti\n0.000000 0.500000 0.000000 V\n0.239827 0.250000 -0.010639 O\n0.784928 0.255621 0.522419 O\n0.751089 0.752298 0.499180 O\n0.248733 0.748657 0.000784 O\n0.751269 0.251344 0.999216 O\n0.248912 0.247703 0.500820 O\n0.215073 0.744380 0.477581 O\n0.760174 0.750001 0.010639 O\n",
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{
"id": "jvasp-53487",
"created_at": "2022-09-04T14:38:11.960839Z",
"updated_at": "2022-09-04T14:38:11.960853Z",
"structure_string": "Yb2 Y4 S8\n1.0\n6.793250 0.000000 -2.411191\n-3.392188 5.890815 -2.398640\n-0.008875 0.000000 7.208468\nYb Y S\n2 4 8\ndirect\n0.124999 0.749999 0.875000 Yb\n0.374999 0.250000 0.625000 Yb\n0.249999 0.628294 0.378294 Y\n0.621705 0.371705 0.250000 Y\n0.749999 0.871705 0.121705 Y\n0.878294 0.128295 0.750000 Y\n0.504072 0.999462 0.860183 S\n0.139816 0.143891 0.139280 S\n0.360183 0.499463 0.004073 S\n0.639279 0.643890 0.639816 S\n0.504610 0.000537 0.360720 S\n0.995926 0.856108 0.495389 S\n0.860720 0.500537 0.004610 S\n0.995389 0.356109 0.495927 S\n",
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"spacegroup": 122
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{
"id": "jvasp-57817",
"created_at": "2022-09-04T14:38:32.915557Z",
"updated_at": "2022-09-04T14:38:32.915579Z",
"structure_string": "Ag2 Bi4 S6 Cl2\n1.0\n0.000000 7.816090 0.019791\n4.026303 0.000000 0.000000\n0.000000 -2.449080 -10.570288\nAg Bi S Cl\n2 4 6 2\ndirect\n0.941323 0.250000 0.591720 Ag\n0.058677 0.749999 0.408280 Ag\n0.462156 0.250000 0.656699 Bi\n0.537844 0.749999 0.343301 Bi\n0.187169 0.749999 0.925231 Bi\n0.812831 0.250000 0.074770 Bi\n0.956583 0.250000 0.851334 S\n0.683721 0.749999 0.587375 S\n0.316279 0.250000 0.412626 S\n0.043418 0.749999 0.148667 S\n0.199273 0.749999 0.661033 S\n0.800727 0.250000 0.338967 S\n0.406409 0.250000 0.101377 Cl\n0.593592 0.749999 0.898623 Cl\n",
"nsites": 14,
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"volume": 332.451245199278,
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{
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"created_at": "2022-09-04T14:38:32.920480Z",
"updated_at": "2022-09-04T14:38:32.920506Z",
"structure_string": "Ca2 Sb4 O8\n1.0\n3.332910 -0.000000 0.000000\n-1.666456 5.589285 -0.000000\n-0.000000 0.000000 11.150973\nCa Sb O\n2 4 8\ndirect\n0.383412 0.766826 0.750000 Ca\n0.616586 0.233174 0.250000 Ca\n0.868216 0.736435 0.078479 Sb\n0.131783 0.263565 0.921521 Sb\n0.868216 0.736435 0.421521 Sb\n0.131783 0.263565 0.578479 Sb\n0.228919 0.457840 0.376854 O\n0.771079 0.542160 0.623146 O\n0.771079 0.542160 0.876854 O\n0.228919 0.457840 0.123146 O\n0.965432 0.930868 0.250000 O\n0.034566 0.069131 0.750000 O\n0.500000 0.000000 0.000000 O\n0.500000 0.000000 0.500000 O\n",
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"volume": 207.72683575535743,
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"formula_full": "Ca2 Sb4 O8",
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{
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"created_at": "2022-09-04T14:38:11.953392Z",
"updated_at": "2022-09-04T14:38:11.953412Z",
"structure_string": "Ca2 Mn4 S8\n1.0\n6.515463 -0.000125 3.761933\n2.171710 6.142686 3.761922\n-0.000129 -0.000105 7.524090\nCa Mn S\n2 4 8\ndirect\n0.874986 0.874969 0.875011 Ca\n0.125023 0.125032 0.124975 Ca\n0.500004 0.500005 0.499994 Mn\n0.500001 0.499978 0.000022 Mn\n-0.000006 0.500005 0.499996 Mn\n0.499988 0.000004 0.500006 Mn\n0.731923 0.731911 0.731917 S\n0.268066 0.268086 0.695789 S\n0.268070 0.695785 0.268082 S\n0.695797 0.268076 0.268077 S\n0.731926 0.304219 0.731918 S\n0.304216 0.731920 0.731926 S\n0.268072 0.268078 0.268084 S\n0.731931 0.731930 0.304202 S\n",
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{
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"updated_at": "2022-09-04T14:38:32.955831Z",
"structure_string": "Sm8 Sb6\n1.0\n7.645432 -0.000000 -2.703068\n-3.822716 6.621138 -2.703068\n0.000000 0.000000 8.109205\nSm Sb\n8 6\ndirect\n0.357251 0.500000 -0.000000 Sm\n0.642749 0.642749 0.642749 Sm\n0.500000 0.000000 0.357251 Sm\n-0.000000 0.357251 0.500000 Sm\n0.500000 0.000000 0.857251 Sm\n-0.000000 0.857251 0.500000 Sm\n0.857251 0.500000 -0.000000 Sm\n0.142749 0.142749 0.142749 Sm\n0.749999 0.875000 0.125000 Sb\n0.625000 0.375000 0.250000 Sb\n0.875000 0.125000 0.750000 Sb\n0.125000 0.750000 0.875000 Sb\n0.375000 0.250000 0.625000 Sb\n0.250000 0.625000 0.375000 Sb\n",
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},
{
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"created_at": "2022-09-04T14:38:33.091356Z",
"updated_at": "2022-09-04T14:38:33.091373Z",
"structure_string": "Tm4 Mn2 S8\n1.0\n7.140443 -0.359100 -2.304625\n-3.881212 6.004256 -2.304625\n0.207326 0.359100 7.500284\nTm Mn S\n4 2 8\ndirect\n0.018367 0.750000 0.768367 Tm\n0.250000 0.518367 0.268367 Tm\n0.481634 0.250000 0.731633 Tm\n0.750000 0.981634 0.231634 Tm\n0.625000 0.375000 0.250000 Mn\n0.875000 0.125000 0.749999 Mn\n0.036351 0.991596 0.552007 S\n0.984344 0.439590 0.447993 S\n0.463650 0.015656 0.955245 S\n0.008404 0.060410 0.044755 S\n0.491596 0.536351 0.052006 S\n0.560411 0.508404 0.544754 S\n0.515656 0.963650 0.455246 S\n0.939590 0.484345 0.947993 S\n",
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{
"id": "jvasp-10051",
"created_at": "2022-09-04T14:38:11.993013Z",
"updated_at": "2022-09-04T14:38:11.993024Z",
"structure_string": "Mg2 Mn4 O8\n1.0\n5.960968 -0.008541 -0.037031\n2.973087 5.166621 -0.037031\n2.947782 1.701904 4.813709\nMg Mn O\n2 4 8\ndirect\n0.125000 0.624999 0.625000 Mg\n0.625000 0.125000 0.625000 Mg\n0.991373 0.991372 0.008628 Mn\n0.258628 0.258627 0.241373 Mn\n0.625000 0.625000 0.125000 Mn\n0.625000 0.624999 0.625000 Mn\n0.397874 0.397873 0.366507 O\n0.399973 0.844055 0.377986 O\n0.397874 0.397873 0.837747 O\n0.844056 0.399972 0.377986 O\n0.405945 0.850027 0.872014 O\n0.850028 0.405944 0.872014 O\n0.852127 0.852126 0.412254 O\n0.852127 0.852126 0.883494 O\n",
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}
]
}