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{
"id": "jvasp-12510",
"created_at": "2022-09-04T14:37:27.820306Z",
"updated_at": "2022-09-04T14:37:27.820342Z",
"structure_string": "Cu8 Cl8\n1.0\n6.573816 -0.000000 -0.000000\n0.000000 6.573816 -0.000000\n0.000000 -0.000000 6.573816\nCu Cl\n8 8\ndirect\n0.618939 0.881062 0.118939 Cu\n0.881062 0.118939 0.618939 Cu\n0.118939 0.618939 0.881062 Cu\n0.381061 0.381061 0.381061 Cu\n0.381061 0.118939 0.881062 Cu\n0.118939 0.881062 0.381061 Cu\n0.881062 0.381061 0.118939 Cu\n0.618939 0.618939 0.618939 Cu\n0.155606 0.344394 0.655606 Cl\n0.344394 0.655606 0.155606 Cl\n0.655606 0.155606 0.344394 Cl\n0.844394 0.844394 0.844394 Cl\n0.844394 0.655606 0.344394 Cl\n0.655606 0.344394 0.844394 Cl\n0.344394 0.844394 0.655606 Cl\n0.155606 0.155606 0.155606 Cl\n",
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{
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"structure_string": "Ti4 I12\n1.0\n6.413556 0.000000 0.000000\n0.000000 7.151469 0.000000\n0.000000 0.000000 12.372171\nTi I\n4 12\ndirect\n0.728562 0.753418 0.500000 Ti\n0.228562 0.246582 0.000000 Ti\n0.271438 0.753418 0.500000 Ti\n0.771439 0.246582 0.000000 Ti\n0.500000 0.590039 0.336976 I\n0.000000 0.409961 0.163024 I\n0.500000 0.590039 0.663024 I\n0.000000 0.409961 0.836976 I\n0.500000 0.090207 0.842856 I\n0.000000 0.909794 0.657144 I\n0.500000 0.090207 0.157144 I\n0.000000 0.909794 0.342856 I\n0.500000 0.078942 0.500000 I\n0.000000 0.921058 0.000000 I\n0.500000 0.560868 0.000000 I\n0.000000 0.439132 0.500000 I\n",
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{
"id": "jvasp-10491",
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"updated_at": "2022-09-04T14:37:12.762907Z",
"structure_string": "Cd2 Se4 O10\n1.0\n5.734951 -0.033095 -1.718202\n-2.748526 6.039298 -2.309215\n0.013501 0.025856 7.025606\nCd Se O\n2 4 10\ndirect\n0.250000 0.590746 0.409255 Cd\n0.750000 0.409256 0.590745 Cd\n0.889906 0.997666 0.713970 Se\n0.610094 0.286031 0.002336 Se\n0.110094 0.002336 0.286030 Se\n0.389906 0.713971 0.997665 Se\n0.750000 0.083997 0.916005 O\n0.250000 0.916004 0.083996 O\n0.689027 0.724026 0.594386 O\n0.810973 0.405615 0.275976 O\n0.310973 0.275976 0.405615 O\n0.189027 0.594387 0.724025 O\n0.273169 0.516638 0.074904 O\n0.226830 0.925097 0.483362 O\n0.726831 0.483364 0.925097 O\n0.773170 0.074905 0.516638 O\n",
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"volume": 243.29899678989165,
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"formula_full": "Cd2 Se4 O10",
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{
"id": "jvasp-22199",
"created_at": "2022-09-04T14:37:33.910323Z",
"updated_at": "2022-09-04T14:37:33.910339Z",
"structure_string": "Sr10 As6\n1.0\n4.504721 -7.802406 -0.000000\n4.504721 7.802406 0.000000\n-0.000000 -0.000000 7.211319\nSr As\n10 6\ndirect\n-0.000000 0.256403 0.750000 Sr\n-0.000000 0.743597 0.250000 Sr\n0.256403 0.256403 0.250000 Sr\n0.256403 -0.000000 0.750000 Sr\n0.743597 0.743597 0.750000 Sr\n0.743597 -0.000000 0.250000 Sr\n0.333333 0.666667 0.500000 Sr\n0.666667 0.333333 0.000000 Sr\n0.666667 0.333333 0.500000 Sr\n0.333333 0.666667 0.000000 Sr\n0.609201 -0.000000 0.750000 As\n0.609201 0.609201 0.250000 As\n-0.000000 0.390799 0.250000 As\n-0.000000 0.609201 0.750000 As\n0.390799 0.390799 0.750000 As\n0.390799 -0.000000 0.250000 As\n",
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{
"id": "jvasp-9729",
"created_at": "2022-09-04T14:37:06.966995Z",
"updated_at": "2022-09-04T14:37:06.967005Z",
"structure_string": "Sr4 Zn4 O8\n1.0\n3.358940 0.000000 0.000000\n-0.000000 5.866866 0.000000\n0.000000 0.000000 11.389466\nSr Zn O\n4 4 8\ndirect\n0.250000 0.318993 0.632969 Sr\n0.750000 0.681008 0.367032 Sr\n0.250000 0.818993 0.867032 Sr\n0.750000 0.181008 0.132968 Sr\n0.750000 0.805983 0.628106 Zn\n0.750000 0.305983 0.871895 Zn\n0.250000 0.194018 0.371895 Zn\n0.250000 0.694018 0.128106 Zn\n0.250000 0.238797 0.961222 O\n0.750000 0.761204 0.038778 O\n0.250000 0.738797 0.538778 O\n0.750000 0.261204 0.461222 O\n0.250000 0.441000 0.241205 O\n0.750000 0.059001 0.741205 O\n0.250000 0.941000 0.258795 O\n0.750000 0.559001 0.758795 O\n",
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{
"id": "jvasp-9204",
"created_at": "2022-09-04T14:37:28.286596Z",
"updated_at": "2022-09-04T14:37:28.286619Z",
"structure_string": "Ca4 Mn4 O8\n1.0\n3.302474 0.107329 0.198661\n-0.186024 7.878588 -1.140086\n-0.421452 -1.661486 7.838051\nCa Mn O\n4 4 8\ndirect\n0.237068 0.785288 0.938214 Ca\n0.736997 0.185296 0.080594 Ca\n0.737103 0.919932 0.322493 Ca\n0.236967 0.050654 0.696317 Ca\n0.736863 0.421302 0.820356 Mn\n0.737014 0.667381 0.566615 Mn\n0.236840 0.303206 0.452192 Mn\n0.237017 0.549283 0.198448 Mn\n0.737163 0.434478 0.331910 O\n0.736848 0.185402 0.573957 O\n0.237238 0.785187 0.444854 O\n0.236994 0.536109 0.686897 O\n0.236902 0.312280 0.949096 O\n0.737029 0.916867 0.815722 O\n0.737176 0.658304 0.069713 O\n0.237055 0.053723 0.203088 O\n",
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"formula_full": "Ca4 Mn4 O8",
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{
"id": "jvasp-10875",
"created_at": "2022-09-04T14:37:11.388346Z",
"updated_at": "2022-09-04T14:37:11.388364Z",
"structure_string": "Al4 Ag4 O8\n1.0\n5.433318 0.000000 0.000000\n0.000000 5.481462 0.000000\n0.000000 0.000000 6.986104\nAl Ag O\n4 4 8\ndirect\n0.933203 0.000179 0.124299 Al\n0.566797 0.500178 0.624299 Al\n0.066797 0.500178 0.875700 Al\n0.433203 0.000179 0.375701 Al\n0.446813 0.997053 0.861697 Ag\n0.553187 0.497053 0.138302 Ag\n0.053187 0.497053 0.361697 Ag\n0.946813 0.997053 0.638302 Ag\n0.382203 0.564490 0.828846 O\n0.617797 0.064491 0.171153 O\n0.117797 0.064491 0.328847 O\n0.882203 0.564490 0.671153 O\n0.468021 0.686178 0.431616 O\n0.968021 0.686178 0.068384 O\n0.031979 0.186178 0.931616 O\n0.531980 0.186178 0.568383 O\n",
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{
"id": "jvasp-9649",
"created_at": "2022-09-04T14:37:27.813892Z",
"updated_at": "2022-09-04T14:37:27.813913Z",
"structure_string": "Ca2 Sn4 O10\n1.0\n3.731493 0.001119 -0.000081\n-0.001472 5.105427 0.003113\n0.000190 -0.012809 11.508467\nCa Sn O\n2 4 10\ndirect\n0.252142 0.778173 0.750213 Ca\n0.752127 0.225033 0.250246 Ca\n0.752157 0.309954 0.915097 Sn\n0.252140 0.693231 0.085355 Sn\n0.252107 0.693479 0.415298 Sn\n0.752123 0.309751 0.585151 Sn\n0.252126 0.542369 0.250296 O\n0.752134 0.460839 0.750161 O\n0.252149 0.492547 0.923361 O\n0.752141 0.510622 0.077093 O\n0.252115 0.492429 0.577088 O\n0.752106 0.510817 0.423366 O\n0.752091 -0.064057 0.615171 O\n0.252076 0.067303 0.385315 O\n0.252164 0.067070 0.115407 O\n0.752181 -0.063901 0.885081 O\n",
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{
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"created_at": "2022-09-04T14:37:29.695813Z",
"updated_at": "2022-09-04T14:37:29.695824Z",
"structure_string": "V4 O8 F4\n1.0\n4.969930 0.001454 0.028776\n2.333887 4.401398 0.026227\n2.180550 1.217621 8.597302\nV O F\n4 8 4\ndirect\n0.000000 0.000000 0.000000 V\n0.212494 0.312189 0.250298 V\n0.500000 0.500000 0.500000 V\n0.787506 0.687810 0.749703 V\n0.222389 0.621691 0.120827 O\n0.126923 0.519711 0.627260 O\n0.044905 0.195155 0.127282 O\n0.530486 0.716168 0.623917 O\n0.469515 0.283831 0.376083 O\n0.955097 0.804844 0.872719 O\n0.873078 0.480288 0.372741 O\n0.777611 0.378308 0.879174 O\n0.272472 0.869016 0.377173 F\n0.372630 0.984734 0.872310 F\n0.627371 0.015265 0.127691 F\n0.727529 0.130983 0.622828 F\n",
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{
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"created_at": "2022-09-04T14:37:27.171273Z",
"updated_at": "2022-09-04T14:37:27.171297Z",
"structure_string": "K6 Cr2 O8\n1.0\n6.510257 0.000000 -0.000000\n-0.000000 6.510257 0.000000\n0.000000 -0.000000 6.950229\nK Cr O\n6 2 8\ndirect\n0.000000 0.500000 0.750000 K\n0.500000 0.000000 0.750000 K\n0.500000 0.500000 0.000000 K\n0.500000 0.000000 0.250000 K\n0.000000 0.500000 0.250000 K\n0.000000 0.000000 0.500000 K\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Cr\n0.154729 0.845271 0.139275 O\n0.845271 0.845271 0.860725 O\n0.154729 0.154729 0.860725 O\n0.845271 0.154729 0.139275 O\n0.654729 0.345271 0.639275 O\n0.345271 0.345271 0.360725 O\n0.654729 0.654729 0.360725 O\n0.345271 0.654729 0.639275 O\n",
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"formula_full": "K6 Cr2 O8",
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{
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"updated_at": "2022-09-04T14:37:06.565906Z",
"structure_string": "P4 Cl12\n1.0\n6.076355 0.000000 0.000000\n0.000000 7.786267 0.000000\n0.000000 0.000000 9.379632\nP Cl\n4 12\ndirect\n0.924045 0.988268 0.750000 P\n0.424046 0.511733 0.250000 P\n0.575953 0.488268 0.750000 P\n0.075954 0.011733 0.250000 P\n0.732334 0.904396 0.919886 Cl\n0.232334 0.595605 0.080114 Cl\n0.767665 0.404396 0.580113 Cl\n0.267666 0.095605 0.419886 Cl\n0.833826 0.200532 0.250000 Cl\n0.333826 0.299468 0.750000 Cl\n0.666173 0.700533 0.250000 Cl\n0.166174 0.799468 0.750000 Cl\n0.732334 0.904396 0.580113 Cl\n0.232334 0.595605 0.419886 Cl\n0.767665 0.404396 0.919886 Cl\n0.267666 0.095605 0.080114 Cl\n",
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"volume": 443.77029740839396,
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{
"id": "jvasp-10352",
"created_at": "2022-09-04T14:37:28.719258Z",
"updated_at": "2022-09-04T14:37:28.719281Z",
"structure_string": "Zn2 Cr4 O10\n1.0\n3.583366 0.000000 0.000000\n-1.791683 4.995542 -0.000000\n0.000000 0.000000 11.349427\nZn Cr O\n2 4 10\ndirect\n0.911723 0.823441 0.750000 Zn\n0.088280 0.176559 0.250000 Zn\n0.212884 0.425767 0.597412 Cr\n0.787119 0.574233 0.402588 Cr\n0.787119 0.574233 0.097413 Cr\n0.212884 0.425767 0.902589 Cr\n0.695589 0.391175 0.250000 O\n0.304414 0.608826 0.750000 O\n0.227906 0.455810 0.073898 O\n0.772098 0.544191 0.926102 O\n0.772098 0.544191 0.573898 O\n0.227906 0.455810 0.426101 O\n0.049485 0.098970 0.626378 O\n0.950516 0.901028 0.373622 O\n0.049485 0.098970 0.873622 O\n0.950516 0.901028 0.126379 O\n",
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"formula_full": "Zn2 Cr4 O10",
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}
]
}