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{
"id": "jvasp-95442",
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{
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"structure_string": "Sc4 Ge6 Rh7\n1.0\n6.747516 -0.007103 -2.389957\n-3.379909 5.839968 -2.389957\n-0.004101 -0.007103 7.158271\nSc Ge Rh\n4 6 7\ndirect\n0.000000 0.000000 0.000000 Sc\n-0.000000 0.500000 -0.000000 Sc\n0.500000 0.000000 0.000000 Sc\n0.000000 0.000000 0.500000 Sc\n-0.012871 0.670067 0.670067 Ge\n0.012871 0.329934 0.329933 Ge\n0.670067 0.670067 -0.012871 Ge\n0.670067 -0.012870 0.670067 Ge\n0.329934 0.012871 0.329934 Ge\n0.329934 0.329934 0.012871 Ge\n0.500001 0.749190 0.250811 Rh\n0.749190 0.500001 0.250811 Rh\n0.749190 0.250812 0.500000 Rh\n0.250811 0.749190 0.500000 Rh\n0.500001 0.250812 0.749189 Rh\n0.500001 0.500001 0.500000 Rh\n0.250812 0.500001 0.749189 Rh\n",
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{
"id": "jvasp-85775",
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"updated_at": "2022-09-04T14:36:09.228307Z",
"structure_string": "K2 Co1 H2 Se2 O10\n1.0\n5.202958 -0.152198 -0.654238\n-2.123209 6.083917 -2.096478\n-0.281821 0.248192 7.391607\nK Co H Se O\n2 1 2 2 10\ndirect\n0.324932 0.686238 0.266690 K\n0.675068 0.313762 0.733310 K\n0.000000 0.000000 0.000000 Co\n0.949750 0.021043 0.310739 H\n0.050251 0.978957 0.689261 H\n0.333730 0.733469 0.777006 Se\n0.666270 0.266531 0.222994 Se\n0.920086 0.264653 0.099909 O\n0.079914 0.735347 0.900090 O\n0.377089 0.181655 0.030554 O\n0.622912 0.818345 0.969446 O\n0.668215 0.111923 0.361435 O\n0.260871 0.473609 0.654715 O\n0.080985 0.978443 0.240221 O\n0.331785 0.888077 0.638565 O\n0.739130 0.526391 0.345285 O\n0.919015 0.021557 0.759779 O\n",
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"formula_full": "K2 Co1 H2 Se2 O10",
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{
"id": "jvasp-86226",
"created_at": "2022-09-04T14:36:09.273412Z",
"updated_at": "2022-09-04T14:36:09.273437Z",
"structure_string": "Ca3 B6 Rh8\n1.0\n5.260690 -0.000000 1.697295\n2.630345 4.883838 0.848647\n0.002078 -0.000000 8.994841\nCa B Rh\n3 6 8\ndirect\n0.681579 0.000000 0.636842 Ca\n0.318422 0.000000 0.363157 Ca\n0.500000 0.000000 -0.000000 Ca\n0.832919 0.334162 -0.000000 B\n0.986964 0.682479 0.343590 B\n0.167080 0.665838 0.000000 B\n0.013035 0.317522 0.656409 B\n0.330556 0.682479 0.656409 B\n0.669443 0.317522 0.343590 B\n0.913221 0.000000 0.173559 Rh\n0.415108 0.500000 0.169783 Rh\n0.086780 0.000000 0.826441 Rh\n0.584892 0.500000 0.830216 Rh\n0.915108 0.500000 0.169783 Rh\n0.084892 0.500000 0.830217 Rh\n0.750000 0.500000 0.500000 Rh\n0.250000 0.500000 0.500000 Rh\n",
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{
"id": "jvasp-85758",
"created_at": "2022-09-04T14:36:11.417023Z",
"updated_at": "2022-09-04T14:36:11.417062Z",
"structure_string": "Fe2 Cu6 Sn1 S8\n1.0\n5.192414 0.000000 -0.000000\n0.000000 7.625541 0.000000\n-0.000000 0.000000 7.625541\nFe Cu Sn S\n2 6 1 8\ndirect\n0.500000 0.500000 0.500000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.745871 0.745871 Cu\n0.009508 0.000000 0.500000 Cu\n0.500000 0.745871 0.254129 Cu\n0.500000 0.254129 0.254129 Cu\n0.500000 0.254129 0.745871 Cu\n0.990491 0.500000 0.000000 Cu\n0.000000 0.000000 0.000000 Sn\n0.737018 0.000000 0.732833 S\n0.737018 0.000000 0.267167 S\n0.262982 0.267167 0.000000 S\n0.761203 0.500000 0.269469 S\n0.238796 0.730531 0.500000 S\n0.238796 0.269469 0.500000 S\n0.262982 0.732833 0.000000 S\n0.761203 0.500000 0.730531 S\n",
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{
"id": "jvasp-104139",
"created_at": "2022-09-04T14:36:40.001959Z",
"updated_at": "2022-09-04T14:36:40.001979Z",
"structure_string": "H6 C9 S1 O1\n1.0\n4.017425 0.000112 1.077858\n1.557706 5.704831 0.301117\n0.107149 -0.055706 7.542607\nH C S O\n6 9 1 1\ndirect\n0.351383 0.148256 0.787044 H\n0.783229 0.356201 0.972932 H\n0.587261 0.645690 0.918006 H\n0.399876 0.864026 0.416841 H\n0.942701 0.882564 0.710199 H\n0.819828 0.129343 0.492430 H\n0.882112 0.633172 0.107514 C\n0.629156 0.293838 0.544008 C\n0.367480 0.304865 0.706364 C\n0.644406 0.494563 0.437904 C\n0.136465 0.717902 0.662473 C\n0.393491 0.707498 0.497975 C\n0.916369 0.467223 0.262370 C\n0.827350 0.530013 0.940806 C\n0.117716 0.517320 0.766918 C\n0.943829 0.890950 0.122734 S\n0.184025 0.302892 0.226599 O\n",
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"spacegroup": 1
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{
"id": "jvasp-86013",
"created_at": "2022-09-04T14:36:17.686144Z",
"updated_at": "2022-09-04T14:36:17.686160Z",
"structure_string": "Rb3 Cu8 S6\n1.0\n3.902618 0.000000 0.000000\n-1.951309 8.610497 -2.401397\n0.000000 -0.152113 9.897653\nRb Cu S\n3 8 6\ndirect\n0.309520 0.619040 0.697992 Rb\n0.690480 0.380961 0.302008 Rb\n0.500000 0.000000 0.000000 Rb\n0.480462 0.960926 0.358116 Cu\n0.905470 0.810940 0.201755 Cu\n0.696196 0.392390 0.909509 Cu\n0.093133 0.186265 0.537039 Cu\n0.094530 0.189060 0.798244 Cu\n0.906868 0.813735 0.462960 Cu\n0.519538 0.039075 0.641883 Cu\n0.303805 0.607611 0.090491 Cu\n0.345995 0.691990 0.352412 S\n0.654006 0.308011 0.647587 S\n0.836175 0.672351 0.977785 S\n0.038201 0.076401 0.299045 S\n0.961800 0.923599 0.700955 S\n0.163825 0.327650 0.022214 S\n",
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{
"id": "jvasp-88642",
"created_at": "2022-09-04T14:36:12.078254Z",
"updated_at": "2022-09-04T14:36:12.078280Z",
"structure_string": "Ba4 Zr3 S10\n1.0\n4.973573 0.008377 -0.689001\n-0.103874 4.972495 -0.689001\n-0.007132 -0.007295 18.243751\nBa Zr S\n4 3 10\ndirect\n0.699882 0.699882 0.399764 Ba\n0.567706 0.567705 0.135411 Ba\n0.432295 0.432295 0.864589 Ba\n0.300119 0.300119 0.600236 Ba\n0.142875 0.142875 0.285749 Zr\n0.857126 0.857126 0.714251 Zr\n0.000000 0.000000 0.000000 Zr\n0.786875 0.786875 0.573750 S\n0.860980 0.360981 0.721960 S\n0.213126 0.213126 0.426250 S\n0.500000 0.000000 0.000000 S\n0.000000 0.500000 0.000000 S\n0.360981 0.860980 0.721960 S\n0.139020 0.639020 0.278040 S\n0.639020 0.139020 0.278040 S\n0.929535 0.929535 0.859071 S\n0.070465 0.070465 0.140929 S\n",
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{
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"created_at": "2022-09-04T14:38:26.128219Z",
"updated_at": "2022-09-04T14:38:26.128247Z",
"structure_string": "Tb6 Ni1 Br10\n1.0\n7.173240 -0.014649 -0.902904\n-2.892420 8.061175 -2.903176\n-0.017298 -0.016241 9.039724\nTb Ni Br\n6 1 10\ndirect\n0.120055 0.039499 0.750387 Tb\n0.879945 0.960502 0.249613 Tb\n0.977078 0.301293 0.095468 Tb\n0.022922 0.698708 0.904532 Tb\n0.365426 0.139309 0.179667 Tb\n0.634574 0.860691 0.820333 Tb\n0.000000 0.000000 0.000000 Ni\n0.200544 0.727934 0.637514 Br\n0.799456 0.272067 0.362486 Br\n0.730012 0.915121 0.535401 Br\n0.269988 0.084879 0.464598 Br\n0.448692 0.816886 0.089069 Br\n0.373621 0.470784 0.276988 Br\n0.089141 0.369531 0.818487 Br\n0.551308 0.183114 0.910931 Br\n0.626379 0.529217 0.723012 Br\n0.910859 0.630469 0.181513 Br\n",
"nsites": 17,
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{
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"created_at": "2022-09-04T14:38:29.739415Z",
"updated_at": "2022-09-04T14:38:29.739439Z",
"structure_string": "In7 Ge1 Ir1 O8\n1.0\n6.291110 -0.000000 3.632174\n2.097037 5.931315 3.632174\n0.000000 0.000000 7.264348\nIn Ge Ir O\n7 1 1 8\ndirect\n0.749856 0.749857 0.250143 In\n0.250144 0.250144 0.749856 In\n0.250144 0.749857 0.250143 In\n0.749856 0.250144 0.250143 In\n0.749856 0.250144 0.749856 In\n0.250144 0.749857 0.749856 In\n0.750000 0.750001 0.749999 In\n0.250000 0.250000 0.250000 Ge\n0.000000 0.000000 0.000000 Ir\n0.945632 0.351456 0.351455 O\n0.629820 0.629820 0.629819 O\n0.351456 0.351456 0.945632 O\n0.110541 0.629820 0.629819 O\n0.351456 0.351456 0.351455 O\n0.629820 0.629820 0.110540 O\n0.351456 0.945633 0.351455 O\n0.629820 0.110541 0.629820 O\n",
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{
"id": "jvasp-54935",
"created_at": "2022-09-04T14:38:29.722595Z",
"updated_at": "2022-09-04T14:38:29.722617Z",
"structure_string": "Tb4 Ga12 Pd1\n1.0\n7.056411 -0.000000 -2.494818\n-3.528205 6.111031 -2.494818\n0.000000 0.000000 7.484454\nTb Ga Pd\n4 12 1\ndirect\n0.500000 0.000000 -0.000000 Tb\n0.500000 0.500000 0.500000 Tb\n-0.000000 -0.000000 0.500000 Tb\n0.000000 0.500000 -0.000000 Tb\n0.703285 0.703285 -0.000000 Ga\n0.750000 0.500000 0.250000 Ga\n0.500000 0.250000 0.749999 Ga\n0.296715 0.296715 -0.000000 Ga\n0.750000 0.250000 0.500000 Ga\n0.500000 0.750000 0.250000 Ga\n0.296715 0.000000 0.296715 Ga\n0.000000 0.703285 0.703284 Ga\n0.703285 0.000000 0.703284 Ga\n0.250000 0.500000 0.750000 Ga\n0.000000 0.296715 0.296715 Ga\n0.250000 0.750000 0.500000 Ga\n0.000000 0.000000 0.000000 Pd\n",
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],
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{
"id": "jvasp-53152",
"created_at": "2022-09-04T14:38:16.137296Z",
"updated_at": "2022-09-04T14:38:16.137316Z",
"structure_string": "Ca4 Th1 F12\n1.0\n3.910432 -0.046714 -0.026261\n-1.911787 3.623642 0.024728\n-1.859257 -0.986654 15.867837\nCa Th F\n4 1 12\ndirect\n0.932487 0.916153 0.983387 Ca\n0.148990 0.542608 0.790195 Ca\n0.368902 0.174711 0.598040 Ca\n0.585521 0.801296 0.404853 Ca\n0.759179 0.358996 0.194115 Th\n0.507508 0.790278 0.259560 F\n0.195446 0.156396 0.269379 F\n0.286388 0.155226 0.452648 F\n0.010892 0.927787 0.128679 F\n0.063560 0.518299 0.643780 F\n0.454329 0.199022 0.744462 F\n0.322968 0.561706 0.118853 F\n0.843460 0.884900 0.836816 F\n0.674475 0.832478 0.551423 F\n0.231644 0.562304 0.935588 F\n0.898776 0.479789 0.352786 F\n0.619467 0.238064 0.035441 F\n",
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}
]
}