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{
"id": "jvasp-29619",
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"structure_string": "In2 Sb4 Se8 Br2\n1.0\n4.003904 0.000116 0.693532\n1.270325 9.586660 4.571958\n0.021968 -0.007854 11.776928\nIn Sb Se Br\n2 4 8 2\ndirect\n0.662410 0.112242 0.562822 In\n0.337588 0.887759 0.437178 In\n0.703568 0.687822 0.904968 Sb\n0.296430 0.312179 0.095033 Sb\n0.048608 0.678109 0.224713 Sb\n0.951390 0.321891 0.775287 Sb\n0.098067 0.828200 0.975622 Se\n0.678854 0.499200 0.143107 Se\n0.321144 0.500800 0.856893 Se\n0.462816 0.860676 0.213702 Se\n0.213792 0.916199 0.656193 Se\n0.537182 0.139325 0.786298 Se\n0.786206 0.083802 0.343807 Se\n0.901931 0.171801 0.024378 Se\n0.102159 0.327373 0.468194 Br\n0.897839 0.672628 0.531806 Br\n",
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{
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{
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"structure_string": "V2 Ag4 P2 O12\n1.0\n5.643827 0.000000 -2.828046\n-0.025991 6.343741 -0.051869\n-0.045918 -0.044641 6.953976\nV Ag P O\n2 4 2 12\ndirect\n0.616344 0.087519 0.232688 V\n0.383656 0.912481 0.767312 V\n0.362609 0.615118 0.231724 Ag\n0.869116 0.615118 0.231724 Ag\n0.637391 0.384882 0.768276 Ag\n0.130885 0.384882 0.768276 Ag\n0.847445 0.850529 0.694889 P\n0.152555 0.149471 0.305111 P\n0.492248 0.207515 0.984497 O\n0.704126 0.286878 0.408252 O\n0.903276 0.635368 0.806553 O\n0.919966 0.020539 0.235587 O\n0.277611 0.177561 0.555222 O\n0.096725 0.364632 0.193447 O\n0.295874 0.713122 0.591748 O\n0.315623 0.020539 0.235587 O\n0.080035 0.979461 0.764413 O\n0.507752 0.792485 0.015503 O\n0.684378 0.979461 0.764413 O\n0.722389 0.822440 0.444778 O\n",
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{
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"created_at": "2022-09-04T14:38:10.409339Z",
"updated_at": "2022-09-04T14:38:10.409370Z",
"structure_string": "Li4 V4 Co2 O12\n1.0\n5.025161 -0.060065 0.000000\n-2.577254 4.314349 -0.000000\n0.000000 -0.000000 10.115940\nLi V Co O\n4 4 2 12\ndirect\n0.174093 0.674093 0.750000 Li\n0.325908 0.825908 0.250000 Li\n0.674093 0.174093 0.750000 Li\n0.825908 0.325908 0.250000 Li\n0.151827 0.848174 0.500000 V\n0.348174 0.651827 0.000000 V\n0.651827 0.348174 0.000000 V\n0.848174 0.151827 0.500000 V\n0.000000 0.000000 0.000000 Co\n0.500001 0.500001 0.500000 Co\n0.503635 0.139518 0.393189 O\n0.852635 0.852635 0.386757 O\n0.360483 -0.003635 0.893189 O\n0.647367 0.647367 0.886757 O\n0.352634 0.352634 0.113243 O\n0.003636 0.639518 0.106811 O\n0.496366 0.860483 0.606811 O\n0.139518 0.503635 0.393189 O\n-0.003635 0.360482 0.893189 O\n0.860483 0.496366 0.606811 O\n0.147366 0.147366 0.613243 O\n0.639518 0.003636 0.106811 O\n",
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{
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"updated_at": "2022-09-04T14:38:16.589765Z",
"structure_string": "Mn2 Cu4 Ge2 S8\n1.0\n6.263303 0.000000 0.000000\n0.000000 6.508359 0.000000\n0.000000 0.000000 7.594488\nMn Cu Ge S\n2 4 2 8\ndirect\n0.503735 0.839284 0.000000 Mn\n0.003735 0.160716 0.500000 Mn\n0.009695 0.673249 0.750227 Cu\n0.009695 0.673249 0.249773 Cu\n0.509695 0.326752 0.250227 Cu\n0.509695 0.326752 0.749774 Cu\n0.502295 0.828707 0.500000 Ge\n0.002295 0.171293 0.000000 Ge\n0.376966 0.660699 0.742606 S\n0.876966 0.339301 0.757395 S\n0.876966 0.339301 0.242606 S\n0.376966 0.660699 0.257394 S\n0.367022 0.180742 0.000000 S\n0.885033 0.840244 0.000000 S\n0.867022 0.819258 0.500000 S\n0.385033 0.159756 0.500000 S\n",
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"formula_full": "Mn2 Cu4 Ge2 S8",
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{
"id": "jvasp-117394",
"created_at": "2022-09-04T14:38:27.252775Z",
"updated_at": "2022-09-04T14:38:27.252801Z",
"structure_string": "Zr2 Cr2 Ag2 S8\n1.0\n12.648823 0.000000 -6.114781\n0.000000 3.593641 0.000000\n-0.079978 -0.000000 6.171207\nZr Cr Ag S\n2 2 2 8\ndirect\n0.752012 0.000000 0.754970 Zr\n0.747988 0.500000 0.245030 Zr\n0.242009 0.000000 0.226927 Cr\n0.257991 0.500000 0.773073 Cr\n0.015525 0.500000 0.501763 Ag\n0.484474 0.000000 0.498237 Ag\n0.142899 0.500000 0.973712 S\n0.873599 0.500000 0.038767 S\n0.626401 0.000000 0.961233 S\n0.357101 0.000000 0.026288 S\n0.154458 0.000000 0.487841 S\n0.871084 0.000000 0.541007 S\n0.628915 0.500000 0.458994 S\n0.345541 0.500000 0.512160 S\n",
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{
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"updated_at": "2022-09-04T14:38:16.596966Z",
"structure_string": "Li2 Cu1 Ni1 O4\n1.0\n2.807152 0.000000 0.000000\n-0.000000 5.095624 2.088294\n-0.000000 0.486755 5.131069\nLi Cu Ni O\n2 1 1 4\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 -0.000000 Li\n0.000000 0.499999 0.500000 Cu\n0.500000 -0.000000 0.500000 Ni\n0.000000 0.790353 0.762733 O\n0.500000 0.236758 0.682156 O\n0.000000 0.209646 0.237267 O\n0.500000 0.763241 0.317844 O\n",
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{
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"updated_at": "2022-09-04T14:38:16.596940Z",
"structure_string": "Ba2 Y1 Bi1 O6\n1.0\n5.321652 -0.000000 3.072457\n1.773884 5.017302 3.072457\n0.000000 0.000000 6.144915\nBa Y Bi O\n2 1 1 6\ndirect\n0.749999 0.750000 0.750001 Ba\n0.250000 0.250000 0.250000 Ba\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Bi\n0.754978 0.754979 0.245022 O\n0.245020 0.754979 0.245022 O\n0.754979 0.245021 0.754979 O\n0.245020 0.754979 0.754979 O\n0.245021 0.245021 0.754979 O\n0.754979 0.245021 0.245021 O\n",
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{
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"created_at": "2022-09-04T14:38:27.910252Z",
"updated_at": "2022-09-04T14:38:27.910267Z",
"structure_string": "Ba1 Zr1 P2 O8\n1.0\n5.044597 -0.030622 0.249058\n2.210465 4.534617 0.249058\n0.027268 0.016928 7.934072\nBa Zr P O\n1 1 2 8\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Zr\n0.634076 0.634078 0.221043 P\n0.365923 0.365924 0.778957 P\n0.313347 0.313348 0.599410 O\n0.686652 0.686654 0.400590 O\n0.767473 0.296877 0.191498 O\n0.296875 0.767474 0.191498 O\n0.769086 0.769087 0.082548 O\n0.232527 0.703125 0.808502 O\n0.230913 0.230914 0.917452 O\n0.703124 0.232528 0.808502 O\n",
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{
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"structure_string": "K2 Tl1 Hg1 Br6\n1.0\n6.932639 -0.000000 4.002561\n2.310880 6.536154 4.002561\n-0.000000 -0.000000 8.005122\nK Tl Hg Br\n2 1 1 6\ndirect\n0.750000 0.749999 0.750000 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Hg\n0.746317 0.253683 0.253683 Br\n0.253683 0.253683 0.746317 Br\n0.253683 0.746316 0.746317 Br\n0.253683 0.746316 0.253683 Br\n0.746317 0.253683 0.746317 Br\n0.746317 0.746316 0.253683 Br\n",
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{
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"created_at": "2022-09-04T14:38:27.264470Z",
"updated_at": "2022-09-04T14:38:27.264491Z",
"structure_string": "V1 Ga2 Fe1 Co4\n1.0\n3.876943 0.000424 5.826903\n1.761664 3.453582 5.826903\n0.000693 0.000424 6.998821\nV Ga Fe Co\n1 2 1 4\ndirect\n0.499999 0.499998 0.500001 V\n0.250221 0.250221 0.250222 Ga\n0.749778 0.749776 0.749780 Ga\n0.000000 0.000000 0.000000 Fe\n0.624735 0.624734 0.624737 Co\n0.125552 0.125552 0.125553 Co\n0.874447 0.874445 0.874450 Co\n0.375264 0.375263 0.375265 Co\n",
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{
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"created_at": "2022-09-04T14:38:16.625661Z",
"updated_at": "2022-09-04T14:38:16.625693Z",
"structure_string": "Cu1 Bi1 W2 O8\n1.0\n5.053391 0.013210 0.004340\n-2.377349 5.624807 -0.019624\n-0.183303 -2.295863 5.733900\nCu Bi W O\n1 1 2 8\ndirect\n0.861416 0.901204 0.788505 Cu\n0.361596 0.901334 0.288697 Bi\n0.116874 0.422727 0.620718 W\n0.606265 0.379918 0.956659 W\n0.329965 0.211272 0.626126 O\n0.823804 0.198566 0.810970 O\n0.361592 0.648510 0.512046 O\n0.857370 0.628451 0.217808 O\n0.865850 0.174241 0.359523 O\n0.393131 0.591351 0.951285 O\n0.899282 0.604041 0.766346 O\n0.361659 0.154192 0.065423 O\n",
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]
}