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"id": "jvasp-54750",
"created_at": "2022-09-04T14:38:32.065216Z",
"updated_at": "2022-09-04T14:38:32.065243Z",
"structure_string": "Ce2 H6 O6\n1.0\n0.000000 6.490926 0.001503\n3.750143 0.000000 0.000000\n0.000000 -3.244243 -5.621653\nCe H O\n2 6 6\ndirect\n0.333346 0.749999 0.666667 Ce\n0.666655 0.250000 0.333333 Ce\n0.854079 0.749999 0.738519 H\n0.261438 0.749999 0.115489 H\n0.884412 0.749999 0.145918 H\n0.145922 0.250000 0.261481 H\n0.738563 0.250000 0.884511 H\n0.115589 0.250000 0.854082 H\n0.689101 0.749999 0.606944 O\n0.393044 0.749999 0.082141 O\n0.917841 0.749999 0.310909 O\n0.310900 0.250000 0.393056 O\n0.606957 0.250000 0.917859 O\n0.082160 0.250000 0.689091 O\n",
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{
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"structure_string": "Al4 In1 Ag1 Te8\n1.0\n7.399828 -0.061981 0.017665\n-2.159840 7.077880 0.017665\n-0.000154 -0.000206 8.760142\nAl In Ag Te\n4 1 1 8\ndirect\n0.987760 0.012240 0.500000 Al\n0.512205 0.487795 0.000001 Al\n0.989894 0.488840 0.754489 Al\n0.511160 0.010106 0.245512 Al\n0.503319 0.496681 0.500000 In\n0.996823 0.003178 0.000001 Ag\n0.392755 0.117599 0.988002 Te\n0.907436 0.631004 0.486756 Te\n0.882400 0.607246 0.011999 Te\n0.368996 0.092564 0.513245 Te\n0.879224 0.158244 0.258279 Te\n0.372260 0.645982 0.765407 Te\n0.841756 0.120776 0.741722 Te\n0.354018 0.627741 0.234594 Te\n",
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{
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"updated_at": "2022-09-04T14:38:32.971456Z",
"structure_string": "Sr2 Ga4 Te8\n1.0\n6.763201 0.001376 0.000000\n-3.357263 5.871088 0.000000\n0.000000 0.000000 11.762222\nSr Ga Te\n2 4 8\ndirect\n0.500000 0.500001 0.250000 Sr\n0.500000 0.500001 0.750000 Sr\n0.242273 0.760564 0.500000 Ga\n0.757728 0.239437 0.500000 Ga\n0.239437 0.757728 0.000000 Ga\n0.760564 0.242273 0.000000 Ga\n0.661873 0.810530 0.000000 Te\n0.338127 0.189471 0.000000 Te\n0.810530 0.661874 0.500000 Te\n0.189471 0.338127 0.500000 Te\n0.500000 0.000000 0.676030 Te\n0.000000 0.500000 0.823970 Te\n0.500000 0.000000 0.323970 Te\n0.000000 0.500000 0.176030 Te\n",
"nsites": 14,
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{
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"updated_at": "2022-09-04T14:38:32.636432Z",
"structure_string": "Mo6 S8\n1.0\n6.471816 -0.009135 -0.158213\n-0.161904 6.469797 -0.158213\n-0.008922 -0.009135 6.473744\nMo S\n6 8\ndirect\n0.594783 0.450002 0.785885 Mo\n0.450002 0.785886 0.594782 Mo\n0.785885 0.594783 0.450002 Mo\n0.405219 0.550000 0.214116 Mo\n0.549999 0.214116 0.405218 Mo\n0.214116 0.405219 0.549999 Mo\n0.868753 0.264255 0.612361 S\n0.264254 0.612362 0.868752 S\n0.612362 0.868753 0.264254 S\n0.131249 0.735747 0.387639 S\n0.735747 0.387640 0.131249 S\n0.387640 0.131249 0.735746 S\n0.218348 0.218348 0.218348 S\n0.781654 0.781654 0.781653 S\n",
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{
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"created_at": "2022-09-04T14:38:31.511013Z",
"updated_at": "2022-09-04T14:38:31.511038Z",
"structure_string": "Cu4 Hg2 I8\n1.0\n8.346353 0.000000 0.000000\n-4.173177 4.026423 0.000000\n0.000000 0.000000 15.757400\nCu Hg I\n4 2 8\ndirect\n0.500000 -0.000000 0.500000 Cu\n0.499999 0.500000 0.500000 Cu\n0.500000 -0.000000 0.000000 Cu\n-0.000000 0.500000 0.000000 Cu\n0.499999 0.500000 0.000000 Hg\n-0.000000 0.500000 0.500000 Hg\n0.230129 0.508428 0.124057 I\n0.278297 0.508428 0.624057 I\n0.278297 0.508428 0.375943 I\n0.230129 0.508428 0.875943 I\n0.769870 0.491571 0.124057 I\n0.721701 0.491571 0.375943 I\n0.721701 0.491571 0.624057 I\n0.769870 0.491571 0.875943 I\n",
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{
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"created_at": "2022-09-04T14:38:36.239524Z",
"updated_at": "2022-09-04T14:38:36.239550Z",
"structure_string": "Y2 Mn4 S8\n1.0\n6.625993 -0.108935 -3.492322\n-1.877736 6.410092 -3.390692\n-0.321511 -0.289169 7.477028\nY Mn S\n2 4 8\ndirect\n-0.000000 0.500001 0.000001 Y\n0.000001 -0.000000 0.500000 Y\n0.370746 0.620747 0.750000 Mn\n0.629253 0.379255 0.250000 Mn\n0.500001 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.742249 0.766738 0.524644 S\n0.742095 0.217609 0.975358 S\n0.238765 0.236103 0.002825 S\n0.257750 0.233262 0.475357 S\n0.266721 0.764059 0.502824 S\n0.257904 0.782393 0.024644 S\n0.733277 0.235940 0.497176 S\n0.761234 0.763898 -0.002824 S\n",
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{
"id": "jvasp-113081",
"created_at": "2022-09-04T14:38:45.018748Z",
"updated_at": "2022-09-04T14:38:45.018771Z",
"structure_string": "Mn2 Cr2 Co2 O8\n1.0\n5.099494 0.029569 -2.864467\n-1.729662 4.783575 -2.887310\n-0.005482 -0.029569 5.848930\nMn Cr Co O\n2 2 2 8\ndirect\n0.123946 0.873946 0.250001 Mn\n0.876054 0.126055 0.750000 Mn\n0.500000 0.500001 0.000000 Cr\n0.000001 0.500000 0.500000 Cr\n0.500000 0.500000 0.500000 Co\n0.500000 0.000000 -0.000000 Co\n0.737023 0.262141 0.025117 O\n0.737023 0.711907 0.474883 O\n0.728362 0.259779 0.468584 O\n0.291195 0.259779 0.031416 O\n0.262978 0.737860 0.974883 O\n0.262977 0.288094 0.525117 O\n0.271638 0.740222 0.531417 O\n0.708805 0.740222 0.968584 O\n",
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"created_at": "2022-09-04T14:38:30.919075Z",
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"structure_string": "Y2 Mo2 Cl2 O8\n1.0\n6.094277 -0.002274 1.518874\n1.778964 5.828850 1.518874\n0.009334 0.006908 6.859892\nY Mo Cl O\n2 2 2 8\ndirect\n0.778352 0.778353 0.110256 Y\n0.221646 0.221648 0.889743 Y\n0.362654 0.362654 0.269265 Mo\n0.637345 0.637347 0.730734 Mo\n0.990215 0.990217 0.762517 Cl\n0.009784 0.009784 0.237482 Cl\n0.889515 0.509246 0.846258 O\n0.110483 0.490755 0.153740 O\n0.457696 0.457698 0.798704 O\n0.294801 0.294802 0.535285 O\n0.542302 0.542303 0.201295 O\n0.705198 0.705199 0.464714 O\n0.490754 0.110484 0.153740 O\n0.509244 0.889517 0.846259 O\n",
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"created_at": "2022-09-04T14:38:35.829275Z",
"updated_at": "2022-09-04T14:38:35.829306Z",
"structure_string": "Nd4 Cu2 Te8\n1.0\n8.379052 -0.000000 0.000000\n0.000000 6.428038 0.015204\n-0.000000 0.000597 7.704012\nNd Cu Te\n4 2 8\ndirect\n0.055335 0.498487 0.231906 Nd\n0.940266 0.004405 0.759402 Nd\n0.440266 0.995595 0.240598 Nd\n0.555335 0.501514 0.768093 Nd\n0.209485 0.695748 0.585976 Cu\n0.709485 0.304253 0.414023 Cu\n0.413180 0.511056 0.381362 Te\n0.586984 0.014036 0.619898 Te\n0.086984 0.985965 0.380101 Te\n0.913179 0.488945 0.618637 Te\n0.247621 0.748020 0.919476 Te\n0.747621 0.251980 0.080523 Te\n0.749129 0.753302 0.071966 Te\n0.249129 0.246698 0.928033 Te\n",
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"structure_string": "Li1 V1 Fe4 O8\n1.0\n4.852332 0.086720 2.726726\n-3.245047 4.521842 0.101467\n-0.225106 0.003975 5.747107\nLi V Fe O\n1 1 4 8\ndirect\n0.749999 0.375001 0.875002 Li\n0.250000 0.375000 0.375001 V\n0.507981 0.738471 0.753548 Fe\n0.992017 0.011530 -0.003546 Fe\n0.249999 0.875000 0.375001 Fe\n0.749999 0.375000 0.375001 Fe\n0.263137 0.120636 0.616227 O\n0.720369 0.118878 0.160754 O\n0.725426 0.611704 0.142079 O\n0.246217 0.132496 0.142078 O\n0.236862 0.629364 0.133774 O\n0.779630 0.631123 0.589249 O\n0.774573 0.138297 0.607923 O\n0.253782 0.617504 0.607923 O\n",
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"structure_string": "La1 Mg2 Cr3 S8\n1.0\n6.419141 0.001875 3.965031\n2.215232 6.023481 3.968186\n0.006548 0.001890 7.545143\nLa Mg Cr S\n1 2 3 8\ndirect\n0.500004 0.500014 0.499987 La\n0.875883 0.875894 0.875896 Mg\n0.124112 0.124107 0.124101 Mg\n0.499999 0.499993 0.000002 Cr\n0.000001 0.499997 0.500003 Cr\n0.500000 0.999995 0.500007 Cr\n0.737695 0.737639 0.737703 S\n0.237412 0.237362 0.723475 S\n0.237370 0.723473 0.237360 S\n0.723476 0.237363 0.237409 S\n0.762627 0.276527 0.762633 S\n0.276521 0.762633 0.762596 S\n0.262304 0.262347 0.262309 S\n0.762600 0.762646 0.276524 S\n",
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}