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{
"id": "jvasp-20974",
"created_at": "2022-09-04T14:38:30.637010Z",
"updated_at": "2022-09-04T14:38:30.637040Z",
"structure_string": "Zn2 Cr4 S8\n1.0\n6.134219 -0.000000 3.541592\n2.044740 5.783396 3.541592\n0.000000 0.000000 7.083186\nZn Cr S\n2 4 8\ndirect\n0.875000 0.875001 0.875000 Zn\n0.125000 0.125000 0.125000 Zn\n0.500000 0.500000 0.500000 Cr\n0.500000 -0.000000 0.500000 Cr\n-0.000000 0.500000 0.500000 Cr\n0.500000 0.500000 -0.000001 Cr\n0.739771 0.280685 0.739771 S\n0.739771 0.739772 0.739771 S\n0.260229 0.260229 0.719315 S\n0.260229 0.719315 0.260228 S\n0.260229 0.260229 0.260229 S\n0.739771 0.739772 0.280685 S\n0.280685 0.739772 0.739771 S\n0.719315 0.260229 0.260228 S\n",
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{
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"structure_string": "Li4 Fe1 Si2 O7\n1.0\n-0.000000 4.475618 -0.000000\n-4.771257 2.237808 0.065670\n-1.114561 0.000000 6.700507\nLi Fe Si O\n4 1 2 7\ndirect\n0.163738 0.702273 0.434672 Li\n0.720526 0.574584 0.146693 Li\n0.295110 0.425416 0.853307 Li\n0.866011 0.297728 0.565329 Li\n0.000990 -0.000000 0.000000 Fe\n0.566738 0.848396 0.709525 Si\n0.415134 0.151605 0.290475 Si\n0.338156 0.894309 0.227134 O\n0.864025 0.733119 0.889568 O\n0.493829 0.591356 0.653652 O\n0.085185 0.408644 0.346348 O\n0.597144 0.266881 0.110433 O\n0.232465 0.105692 0.772867 O\n0.687952 -0.000000 0.500000 O\n",
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"volume": 142.75721061455235,
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"formula_full": "Li4 Fe1 Si2 O7",
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{
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"created_at": "2022-09-04T14:38:28.847890Z",
"updated_at": "2022-09-04T14:38:28.847913Z",
"structure_string": "Ni6 Bi4 S4\n1.0\n6.576314 -0.000000 -2.325078\n-3.288158 5.695255 -2.325078\n-0.000000 -0.000000 6.975235\nNi Bi S\n6 4 4\ndirect\n0.520650 0.270651 0.250000 Ni\n0.979349 0.229350 0.749999 Ni\n0.750000 0.979350 0.229349 Ni\n0.229349 0.750001 0.979349 Ni\n0.250000 0.520651 0.270650 Ni\n0.270650 0.250000 0.520650 Ni\n0.005674 0.005674 0.005674 Bi\n0.494326 0.500000 -0.000000 Bi\n0.000000 0.494326 0.500000 Bi\n0.500000 0.000000 0.494326 Bi\n0.000000 0.959954 0.500000 S\n0.959953 0.500000 -0.000000 S\n0.500000 0.000000 0.959952 S\n0.540046 0.540047 0.540046 S\n",
"nsites": 14,
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"density_atomic": 0.053588731441790736,
"volume": 261.2489533402579,
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{
"id": "jvasp-9676",
"created_at": "2022-09-04T14:38:10.268760Z",
"updated_at": "2022-09-04T14:38:10.268791Z",
"structure_string": "Zn2 Cr4 Se8\n1.0\n6.468093 0.000000 3.734355\n2.156031 6.098176 3.734355\n0.000000 0.000000 7.468710\nZn Cr Se\n2 4 8\ndirect\n0.125000 0.125000 0.125000 Zn\n0.874999 0.875001 0.874999 Zn\n0.500000 -0.000000 0.500000 Cr\n-0.000000 0.500000 0.500000 Cr\n0.500000 0.500000 0.499999 Cr\n0.500000 0.500000 -0.000001 Cr\n0.260114 0.260114 0.260113 Se\n0.739886 0.739887 0.280341 Se\n0.280341 0.739887 0.739885 Se\n0.739886 0.280342 0.739886 Se\n0.719658 0.260114 0.260113 Se\n0.260113 0.719659 0.260113 Se\n0.260114 0.260114 0.719658 Se\n0.739886 0.739887 0.739885 Se\n",
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"volume": 294.592581948156,
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{
"id": "jvasp-57682",
"created_at": "2022-09-04T14:38:29.798942Z",
"updated_at": "2022-09-04T14:38:29.798978Z",
"structure_string": "Pr6 Te8\n1.0\n7.839091 -0.000000 -2.771537\n-3.919545 6.788852 -2.771537\n0.000000 0.000000 8.314611\nPr Te\n6 8\ndirect\n0.750000 0.875000 0.124999 Pr\n0.625000 0.375000 0.250000 Pr\n0.875000 0.125000 0.750000 Pr\n0.125000 0.750000 0.875000 Pr\n0.375000 0.250000 0.625000 Pr\n0.250000 0.625000 0.375000 Pr\n0.650257 0.650257 0.650256 Te\n0.349743 0.500000 -0.000000 Te\n0.500000 0.000000 0.349743 Te\n0.000000 0.349743 0.500000 Te\n0.500000 -0.000000 0.849743 Te\n0.000000 0.849743 0.500000 Te\n0.150257 0.150257 0.150257 Te\n0.849743 0.500000 -0.000000 Te\n",
"nsites": 14,
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"volume": 442.4905319527879,
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{
"id": "jvasp-119264",
"created_at": "2022-09-04T14:38:28.818328Z",
"updated_at": "2022-09-04T14:38:28.818356Z",
"structure_string": "Sr2 Y2 Co2 O8\n1.0\n3.584498 0.004411 -1.059301\n-0.636030 7.139522 -2.122864\n-0.008174 -0.004901 6.566946\nSr Y Co O\n2 2 2 8\ndirect\n0.643359 0.321681 0.286725 Sr\n0.643379 0.821677 0.286717 Sr\n0.363333 0.681613 0.726505 Y\n0.363180 0.181607 0.726512 Y\n0.007168 0.003586 0.014326 Co\n0.007151 0.503583 0.014313 Co\n0.840723 0.420404 0.681483 O\n0.840758 0.920382 0.681487 O\n0.174129 0.587056 0.348230 O\n0.174103 0.087060 0.348245 O\n0.485677 0.492824 0.971358 O\n0.485690 0.992836 0.971378 O\n0.985753 0.742847 0.971375 O\n0.985609 0.242841 0.971356 O\n",
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"density_atomic": 0.08334585705658516,
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"formula_full": "Sr2 Y2 Co2 O8",
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"formula_anonymous": "ABCD4",
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},
{
"id": "jvasp-10130",
"created_at": "2022-09-04T14:38:12.485468Z",
"updated_at": "2022-09-04T14:38:12.485497Z",
"structure_string": "Hg4 S2 O8\n1.0\n0.000000 6.342576 0.000084\n4.452973 0.000000 0.000000\n0.000000 -0.419383 -8.509224\nHg S O\n4 2 8\ndirect\n0.190224 0.066969 0.469952 Hg\n0.809777 0.066969 0.030049 Hg\n0.809777 0.933030 0.530049 Hg\n0.190224 0.933030 0.969951 Hg\n0.500000 0.440339 0.250000 S\n0.500001 0.559661 0.750000 S\n0.503479 0.762762 0.606555 O\n0.496522 0.762762 0.893445 O\n0.496522 0.237237 0.393445 O\n0.503479 0.237237 0.106555 O\n0.695839 0.385251 0.761806 O\n0.304162 0.385251 0.738193 O\n0.695839 0.614749 0.261807 O\n0.304162 0.614749 0.238194 O\n",
"nsites": 14,
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"formula_full": "Hg4 S2 O8",
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"spacegroup": 13
},
{
"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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],
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"formula_full": "Li1 Ti4 V1 O8",
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"spacegroup": 2
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{
"id": "jvasp-11095",
"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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"formula_full": "Ca2 Mn4 S8",
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{
"id": "jvasp-58569",
"created_at": "2022-09-04T14:38:19.700127Z",
"updated_at": "2022-09-04T14:38:19.700145Z",
"structure_string": "Mg2 Cu4 O8\n1.0\n2.930794 -0.000000 0.000000\n-1.465397 4.818896 -0.000000\n0.000000 0.000000 9.309096\nMg Cu O\n2 4 8\ndirect\n0.392616 0.785234 0.750000 Mg\n0.607383 0.214766 0.250000 Mg\n0.867022 0.734048 0.070762 Cu\n0.132976 0.265953 0.929239 Cu\n0.867022 0.734048 0.429239 Cu\n0.132976 0.265953 0.570762 Cu\n0.219338 0.438678 0.385589 O\n0.780660 0.561323 0.614411 O\n0.780660 0.561323 0.885590 O\n0.219338 0.438678 0.114411 O\n0.958521 0.917047 0.250000 O\n0.041477 0.082954 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": "2022-09-04T14:38:29.554751Z",
"updated_at": "2022-09-04T14:38:29.554766Z",
"structure_string": "Mg2 Cu4 O8\n1.0\n5.417683 0.003648 0.002254\n-0.003630 5.417613 -0.004903\n-2.708999 -2.706343 4.710099\nMg Cu O\n2 4 8\ndirect\n0.124965 0.374977 0.249947 Mg\n0.874985 0.624971 0.749954 Mg\n0.499997 0.000004 0.500008 Cu\n0.000006 0.000007 0.500013 Cu\n0.500011 0.000004 0.000010 Cu\n0.500001 0.500008 0.000011 Cu\n0.277486 0.986036 0.154026 O\n0.513958 0.623464 0.345986 O\n0.832018 0.222537 0.346000 O\n0.123463 0.332018 0.845992 O\n0.167994 0.777476 0.654017 O\n0.486043 0.376542 0.654032 O\n0.876535 0.667989 0.154016 O\n0.722534 0.013968 0.845990 O\n",
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{
"id": "jvasp-9902",
"created_at": "2022-09-04T14:38:20.100943Z",
"updated_at": "2022-09-04T14:38:20.100969Z",
"structure_string": "Mg2 Ag4 O8\n1.0\n6.442878 -0.465173 -0.658484\n-3.605403 5.359414 0.657771\n-3.606610 -1.178595 5.269063\nMg Ag O\n2 4 8\ndirect\n0.249991 0.899510 0.149537 Mg\n0.750020 0.149541 0.899510 Mg\n-0.002207 -0.004635 0.494536 Ag\n0.502201 0.496733 0.497570 Ag\n0.500824 0.497564 -0.004633 Ag\n-0.000832 0.494537 0.496729 Ag\n0.116519 0.101918 0.842131 O\n0.750576 0.147862 0.258572 O\n0.749375 0.507936 0.897283 O\n0.610690 0.258579 0.507953 O\n0.259826 0.485417 0.101946 O\n0.240235 0.842172 0.725562 O\n0.383452 0.725573 0.485403 O\n0.889339 0.897297 0.147898 O\n",
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}
]
}