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{
"id": "jvasp-101855",
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"updated_at": "2022-09-04T14:37:13.095307Z",
"structure_string": "H2 C4 S2 N2 O4\n1.0\n4.616567 0.011067 0.531423\n0.946582 5.993122 2.045002\n-0.092777 -0.053849 6.446713\nH C S N O\n2 4 2 2 4\ndirect\n0.431495 0.188086 0.596748 H\n0.431547 0.688087 0.096738 H\n0.915271 0.242000 0.718390 C\n0.629726 0.248191 0.851811 C\n0.915317 0.742007 0.218376 C\n0.629772 0.748192 0.351802 C\n0.599513 0.276588 0.098853 S\n0.599559 0.776580 0.598846 S\n0.411001 0.234663 0.737259 N\n0.411048 0.734670 0.237244 N\n0.949106 0.249159 0.527200 O\n0.949147 0.749182 0.027185 O\n0.139425 0.728085 0.348713 O\n0.139377 0.228093 0.848722 O\n",
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"structure_string": "Cd2 Ga4 O8\n1.0\n5.335623 -0.000000 3.080523\n1.778541 5.030473 3.080523\n-0.000000 -0.000000 6.161046\nCd Ga O\n2 4 8\ndirect\n0.875000 0.874999 0.875000 Cd\n0.125000 0.125000 0.125000 Cd\n0.500000 0.000000 0.500000 Ga\n-0.000000 0.500000 0.500000 Ga\n0.500000 0.500000 -0.000000 Ga\n0.500000 0.500000 0.500000 Ga\n0.732037 0.732037 0.732038 O\n0.267962 0.267962 0.696114 O\n0.267962 0.696113 0.267962 O\n0.696113 0.267962 0.267962 O\n0.732037 0.303886 0.732038 O\n0.303886 0.732037 0.732038 O\n0.267962 0.267962 0.267963 O\n0.732037 0.732037 0.303886 O\n",
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{
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"structure_string": "Zn2 Co4 O8\n1.0\n2.785531 -0.000011 0.571413\n1.320780 6.739012 0.637338\n0.000443 0.279372 7.073457\nZn Co O\n2 4 8\ndirect\n0.370199 0.104627 0.155180 Zn\n0.625281 0.872412 0.877047 Zn\n0.637420 0.177199 0.548070 Co\n0.149117 0.498283 0.203564 Co\n0.846346 0.478764 0.828669 Co\n0.358043 0.799854 0.484162 Co\n0.847957 0.680076 0.624100 O\n0.459143 0.327312 0.754504 O\n0.536321 0.649738 0.277726 O\n0.147506 0.296976 0.408133 O\n0.162670 0.004591 0.670134 O\n0.789838 0.338473 0.081964 O\n0.832797 0.972460 0.362097 O\n0.205627 0.638569 0.950269 O\n",
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{
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"created_at": "2022-09-04T14:37:12.893112Z",
"updated_at": "2022-09-04T14:37:12.893135Z",
"structure_string": "Y2 Ni4 O8\n1.0\n5.006478 0.104267 -2.480367\n-1.347012 4.803708 -2.515837\n-0.042397 -0.009564 6.208491\nY Ni O\n2 4 8\ndirect\n0.874998 0.124998 0.749995 Y\n0.125003 0.875003 0.250005 Y\n0.500000 0.000000 0.000000 Ni\n0.500001 0.500001 -0.000000 Ni\n0.000000 0.500001 0.500000 Ni\n0.500000 0.500001 0.500000 Ni\n0.714093 0.526934 0.849476 O\n0.135384 0.822545 0.849476 O\n0.285908 0.473068 0.150524 O\n0.864617 0.177457 0.150524 O\n0.526953 0.135384 0.349479 O\n0.822526 0.714095 0.349479 O\n0.177474 0.285907 0.650521 O\n0.473048 0.864618 0.650521 O\n",
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{
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"created_at": "2022-09-04T14:37:12.871718Z",
"updated_at": "2022-09-04T14:37:12.871741Z",
"structure_string": "Zn2 In4 S8\n1.0\n1.963964 -3.401683 0.000000\n1.963964 3.401683 -0.000000\n-0.000000 -0.000000 24.896043\nZn In S\n2 4 8\ndirect\n0.333332 0.666666 0.043619 Zn\n0.666666 0.333332 0.956381 Zn\n0.333332 0.666666 0.606269 In\n0.666666 0.333332 0.393730 In\n-0.000000 0.000000 0.231541 In\n-0.000000 0.000000 0.768459 In\n0.666666 0.333332 0.062191 S\n0.333332 0.666666 0.703147 S\n0.666666 0.333332 0.560444 S\n0.333332 0.666666 0.439556 S\n0.666666 0.333332 0.296853 S\n0.666666 0.333332 0.816971 S\n0.333332 0.666666 0.937809 S\n0.333332 0.666666 0.183029 S\n",
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{
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"created_at": "2022-09-04T14:37:14.949678Z",
"updated_at": "2022-09-04T14:37:14.949711Z",
"structure_string": "Rb2 S2 O8 F2\n1.0\n5.492050 0.025328 0.057022\n-0.359228 5.501961 -0.010196\n-2.087658 -1.501493 7.016097\nRb S O F\n2 2 8 2\ndirect\n0.107947 0.336226 0.245272 Rb\n0.892052 0.663775 0.754728 Rb\n0.381809 0.225305 0.790777 S\n0.618191 0.774696 0.209222 S\n0.160604 0.185642 0.856579 O\n0.648570 0.615798 0.345911 O\n0.371304 0.738933 0.067846 O\n0.351429 0.384203 0.654089 O\n0.568919 0.054009 0.317692 O\n0.431080 0.945992 0.682308 O\n0.839396 0.814358 0.143421 O\n0.628695 0.261067 0.932153 O\n0.796242 0.149014 0.488703 F\n0.203757 0.850987 0.511297 F\n",
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"formula_full": "Rb2 S2 O8 F2",
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{
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"created_at": "2022-09-04T14:37:12.877075Z",
"updated_at": "2022-09-04T14:37:12.877099Z",
"structure_string": "Mo4 O10\n1.0\n11.905961 0.000000 0.000000\n0.000000 5.021031 -1.909114\n0.000000 -0.000000 3.818229\nMo O\n4 10\ndirect\n0.149430 0.882177 0.941089 Mo\n0.350570 0.117823 0.558913 Mo\n0.649429 0.117823 0.558913 Mo\n0.850570 0.882177 0.941089 Mo\n0.000000 -0.000737 -0.000367 O\n0.134267 0.549728 0.774865 O\n0.186012 0.978029 0.489015 O\n0.313988 0.021969 0.010985 O\n0.365733 0.450272 0.725137 O\n0.500000 0.000737 0.500367 O\n0.634267 0.450272 0.725137 O\n0.865733 0.549728 0.774865 O\n0.686012 0.021969 0.010985 O\n0.813988 0.978029 0.489015 O\n",
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{
"id": "jvasp-10796",
"created_at": "2022-09-04T14:38:11.717995Z",
"updated_at": "2022-09-04T14:38:11.718021Z",
"structure_string": "Ag4 Se2 O8\n1.0\n6.162883 -0.223665 -1.248051\n-3.659280 4.963953 -1.248051\n0.010185 0.019285 7.051540\nAg Se O\n4 2 8\ndirect\n0.181349 0.818650 0.250000 Ag\n0.568651 0.431349 0.250000 Ag\n0.818651 0.181349 0.750000 Ag\n0.431349 0.568650 0.750000 Ag\n0.875000 0.125000 0.250000 Se\n0.125000 0.874999 0.750000 Se\n0.867677 0.299639 0.098550 O\n0.201090 0.269128 0.401451 O\n0.700361 0.132323 0.401451 O\n0.730871 0.798911 0.098550 O\n0.132323 0.700360 0.901450 O\n0.798910 0.730871 0.598550 O\n0.269129 0.201089 0.901450 O\n0.299639 0.867676 0.598549 O\n",
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{
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"updated_at": "2022-09-04T14:37:12.802299Z",
"structure_string": "Na4 Cr2 F8\n1.0\n0.000000 3.382178 0.017408\n9.429271 0.000000 0.000000\n0.000000 -0.233188 -5.677028\nNa Cr F\n4 2 8\ndirect\n0.514271 0.818033 0.420169 Na\n0.485729 0.318033 0.079830 Na\n0.514271 0.681967 0.920170 Na\n0.485729 0.181967 0.579831 Na\n0.000000 0.000000 0.000000 Cr\n-0.000000 0.500000 0.500000 Cr\n0.009648 0.695106 0.629308 F\n0.990352 0.195106 0.870692 F\n0.990352 0.304894 0.370692 F\n0.009648 0.804894 0.129308 F\n0.578164 0.951114 0.757093 F\n0.421836 0.451114 0.742907 F\n0.578164 0.548886 0.257093 F\n0.421836 0.048886 0.242907 F\n",
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{
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"structure_string": "Pb2 C4 S4 N4\n1.0\n5.900983 0.035330 0.170745\n2.217556 5.468574 0.170745\n-0.040796 -0.027657 8.137770\nPb C S N\n2 4 4 4\ndirect\n0.903147 0.096852 0.249999 Pb\n0.096853 0.903146 0.749999 Pb\n0.752885 0.487702 0.601822 C\n0.247115 0.512296 0.398176 C\n0.487703 0.752885 0.101822 C\n0.512296 0.247114 0.898176 C\n0.645908 0.767685 0.665705 S\n0.767686 0.645907 0.165705 S\n0.232314 0.354091 0.834293 S\n0.354092 0.232314 0.334293 S\n0.281780 0.834825 0.056186 N\n0.718220 0.165174 0.943813 N\n0.834825 0.281779 0.556186 N\n0.165175 0.718220 0.443813 N\n",
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{
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"created_at": "2022-09-04T14:37:15.051110Z",
"updated_at": "2022-09-04T14:37:15.051132Z",
"structure_string": "Zn2 Cr4 Se8\n1.0\n6.468109 0.000000 3.734364\n2.156036 6.098192 3.734364\n0.000000 0.000000 7.468730\nZn Cr Se\n2 4 8\ndirect\n0.125000 0.125000 0.125000 Zn\n0.875001 0.875000 0.874999 Zn\n0.500000 -0.000000 0.500000 Cr\n0.000000 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\n0.739887 0.739886 0.280340 Se\n0.280342 0.739886 0.739886 Se\n0.739887 0.280341 0.739886 Se\n0.719659 0.260114 0.260113 Se\n0.260114 0.719658 0.260113 Se\n0.260114 0.260114 0.719658 Se\n0.739887 0.739886 0.739885 Se\n",
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{
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"structure_string": "Al4 Fe2 O8\n1.0\n5.672464 0.021673 0.019385\n2.855002 4.901660 0.019385\n2.858316 1.650249 4.667611\nAl Fe O\n4 2 8\ndirect\n0.128930 0.128930 0.121070 Al\n0.500000 0.500000 -0.000001 Al\n0.500000 0.500000 0.499999 Al\n0.871071 0.871071 0.878928 Al\n0.000000 0.500000 0.499999 Fe\n0.500000 -0.000000 0.499999 Fe\n0.263000 0.263000 0.239531 O\n0.263000 0.263000 0.734469 O\n0.267950 0.734973 0.248538 O\n0.734972 0.267949 0.248538 O\n0.265028 0.732051 0.751460 O\n0.732051 0.265028 0.751460 O\n0.737001 0.737001 0.265529 O\n0.737001 0.737001 0.760467 O\n",
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"formula_full": "Al4 Fe2 O8",
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]
}