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{
"id": "jvasp-44706",
"created_at": "2022-09-04T14:38:06.526902Z",
"updated_at": "2022-09-04T14:38:06.526926Z",
"structure_string": "Li4 Fe1 Co3 O8\n1.0\n5.072990 -0.001926 -0.011594\n0.028600 5.368703 0.018712\n-0.010798 0.051525 6.354896\nLi Fe Co O\n4 1 3 8\ndirect\n0.997796 0.085481 0.623665 Li\n0.498228 0.412968 0.124629 Li\n0.999062 0.585894 0.875516 Li\n0.497474 0.914924 0.377046 Li\n0.500709 0.918593 0.874940 Fe\n-0.000244 0.081635 0.130200 Co\n0.502564 0.417829 0.624681 Co\n0.002795 0.582243 0.372232 Co\n0.373190 0.067001 0.117616 O\n0.385661 0.088090 0.629833 O\n0.891298 0.410409 0.135923 O\n0.864655 0.439545 0.612436 O\n0.366430 0.563752 0.384212 O\n0.388012 0.588847 0.865761 O\n0.888375 0.909358 0.368526 O\n0.870391 0.933411 0.882791 O\n",
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{
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"structure_string": "Li3 Ca3 Sn3\n1.0\n2.438828 -4.224174 0.000000\n2.438828 4.224174 -0.000000\n-0.000000 -0.000000 10.752227\nLi Ca Sn\n3 3 3\ndirect\n0.333334 0.666667 0.199897 Li\n0.666667 0.333334 0.504925 Li\n0.333334 0.666667 0.809944 Li\n0.000000 0.000000 0.672190 Ca\n0.000000 0.000000 0.337581 Ca\n0.000000 0.000000 0.004863 Ca\n0.333334 0.666667 0.504869 Sn\n0.666667 0.333334 0.854796 Sn\n0.666667 0.333334 0.154939 Sn\n",
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{
"id": "jvasp-90642",
"created_at": "2022-09-04T14:36:00.603927Z",
"updated_at": "2022-09-04T14:36:00.603944Z",
"structure_string": "K2 Co2 O4\n1.0\n4.832017 0.178676 -2.294494\n-2.949119 4.401119 -0.759003\n0.119602 -0.178673 5.347758\nK Co O\n2 2 4\ndirect\n0.499988 0.249985 0.749982 K\n-0.000000 0.499995 0.499999 K\n0.500003 0.749996 0.249990 Co\n-0.000001 -0.000001 0.000009 Co\n0.889279 0.910371 0.274420 O\n0.110727 0.385144 0.021116 O\n0.364051 -0.021082 0.089624 O\n0.635957 0.725599 0.614868 O\n",
"nsites": 8,
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"volume": 115.87210210984941,
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"formula_full": "K2 Co2 O4",
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"formula_anonymous": "ABC2",
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"spacegroup": 82
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{
"id": "jvasp-94825",
"created_at": "2022-09-04T14:35:42.294901Z",
"updated_at": "2022-09-04T14:35:42.294918Z",
"structure_string": "Ca1 Rh1 F6\n1.0\n4.662173 0.038934 3.383584\n1.746345 4.322922 3.383583\n0.057202 0.038935 5.760315\nCa Rh F\n1 1 6\ndirect\n0.500000 0.499999 0.499999 Ca\n0.000000 0.000000 0.000000 Rh\n0.384118 0.066403 0.779716 F\n0.066405 0.779716 0.384117 F\n0.220284 0.615880 0.933595 F\n0.933596 0.220282 0.615881 F\n0.615883 0.933595 0.220282 F\n0.779717 0.384117 0.066403 F\n",
"nsites": 8,
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{
"id": "jvasp-34677",
"created_at": "2022-09-04T14:38:13.098329Z",
"updated_at": "2022-09-04T14:38:13.098357Z",
"structure_string": "K2 Co2 O4\n1.0\n4.850819 0.117327 -2.257453\n-2.910362 4.412784 -0.834880\n0.077355 -0.117235 5.349796\nK Co O\n2 2 4\ndirect\n0.500002 0.250001 0.750002 K\n0.000002 0.500000 0.500001 K\n0.499998 0.749997 0.250001 Co\n0.000002 0.000001 0.000000 Co\n0.863969 0.839488 0.228792 O\n0.136036 0.364826 0.975522 O\n0.389303 0.024481 0.160513 O\n0.610697 0.771210 0.635178 O\n",
"nsites": 8,
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"formula_full": "K2 Co2 O4",
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},
{
"id": "jvasp-99529",
"created_at": "2022-09-04T14:36:14.762450Z",
"updated_at": "2022-09-04T14:36:14.762474Z",
"structure_string": "Sr2 Cu1 S2 Cl2\n1.0\n4.405356 -0.004299 -7.377230\n-0.338915 4.392302 -7.377230\n0.003984 0.004299 8.592477\nSr Cu S Cl\n2 1 2 2\ndirect\n0.374283 0.374283 -0.000000 Sr\n0.625717 0.625717 -0.000000 Sr\n0.000000 0.000000 0.000000 Cu\n0.500000 -0.000000 0.500000 S\n-0.000001 0.500000 0.499999 S\n0.189565 0.189565 -0.000000 Cl\n0.810435 0.810434 -0.000001 Cl\n",
"nsites": 7,
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{
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"created_at": "2022-09-04T14:35:54.061062Z",
"updated_at": "2022-09-04T14:35:54.061091Z",
"structure_string": "K2 Co2 O4\n1.0\n3.826571 -0.000000 -0.000000\n-0.000000 3.826571 0.000000\n-0.000000 -0.000000 7.911467\nK Co O\n2 2 4\ndirect\n0.750001 0.750001 0.339389 K\n0.249999 0.249999 0.660613 K\n0.750001 0.750001 0.906868 Co\n0.249999 0.249999 0.093131 Co\n0.249999 0.750001 0.000000 O\n0.750001 0.249999 0.000000 O\n0.750001 0.750001 0.685186 O\n0.249999 0.249999 0.314815 O\n",
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"spacegroup": 129
},
{
"id": "jvasp-112864",
"created_at": "2022-09-04T14:38:44.011549Z",
"updated_at": "2022-09-04T14:38:44.011561Z",
"structure_string": "Na4 Fe4 B4 O12\n1.0\n4.943602 -0.000216 0.958308\n0.000373 8.950508 0.000832\n0.019209 -0.000926 5.546486\nNa Fe B O\n4 4 4 12\ndirect\n-0.000008 0.335241 0.749958 Na\n0.500003 0.835222 0.750022 Na\n0.499994 0.164755 0.249985 Na\n0.000011 0.664781 0.250038 Na\n0.500010 0.499998 0.499974 Fe\n0.499997 0.499998 0.000021 Fe\n-0.000011 0.000001 0.500027 Fe\n0.000002 0.000002 0.999979 Fe\n0.000001 0.331660 0.249964 B\n0.500001 0.831674 0.250030 B\n0.499991 0.168338 0.749974 B\n0.000005 0.668326 0.750034 B\n0.214759 0.407694 0.314696 O\n0.500012 0.323278 0.749919 O\n-0.000031 0.823270 0.750021 O\n0.000028 0.176718 0.249982 O\n0.499998 0.676732 0.250075 O\n0.285204 0.092321 0.685263 O\n0.785244 0.592294 0.685305 O\n0.714748 0.092327 0.814740 O\n0.214807 0.592336 0.814768 O\n0.785209 0.407657 0.185222 O\n0.285229 0.907676 0.185274 O\n0.714787 0.907693 0.314741 O\n",
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},
{
"id": "jvasp-46694",
"created_at": "2022-09-04T14:38:04.972479Z",
"updated_at": "2022-09-04T14:38:04.972502Z",
"structure_string": "Li3 Mn5 O1 F11\n1.0\n-5.267934 0.055099 0.694491\n2.461731 4.751179 -1.611481\n1.297883 -0.371687 -9.287818\nLi Mn O F\n3 5 1 11\ndirect\n0.294718 0.152900 0.425820 Li\n0.716694 0.874082 0.556013 Li\n0.217824 0.367025 0.078317 Li\n0.752594 0.641850 0.931110 Mn\n0.460334 0.071589 0.822445 Mn\n0.976733 0.617133 0.329978 Mn\n0.037726 0.394137 0.678623 Mn\n0.543393 0.887395 0.168768 Mn\n0.519578 0.773963 0.980337 O\n0.438802 0.873652 0.372862 F\n0.052439 0.598947 0.129024 F\n0.041807 0.277722 0.477394 F\n0.439187 0.216727 0.021482 F\n0.531910 0.467381 0.288145 F\n0.922774 0.380028 0.878366 F\n0.578995 0.132831 0.614945 F\n0.018540 0.976203 0.773118 F\n0.481469 0.527752 0.714299 F\n0.980477 0.734713 0.531180 F\n0.994006 0.033969 0.227775 F\n",
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{
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"created_at": "2022-09-04T14:38:40.819801Z",
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"structure_string": "Sc1 P1 Se1\n1.0\n2.791988 -0.000000 0.000000\n-0.000000 2.791988 -0.000000\n0.000000 -0.000000 8.848962\nSc P Se\n1 1 1\ndirect\n0.000000 0.000000 0.654641 Sc\n0.000000 0.000000 0.363001 P\n0.000000 0.000000 -0.039870 Se\n",
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{
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"created_at": "2022-09-04T14:37:48.930561Z",
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"structure_string": "Li4 V7 O9 F7\n1.0\n-4.185951 4.169216 -0.034415\n4.185951 -0.034415 4.169216\n4.252044 8.440650 -4.305850\nLi V O F\n4 7 9 7\ndirect\n0.988619 0.007646 0.003739 Li\n0.263617 0.613397 0.122990 Li\n0.263194 0.122421 0.614387 Li\n0.980922 0.513031 0.506049 Li\n0.628710 0.296143 0.075150 V\n0.100047 0.056022 0.306048 V\n0.649274 0.051104 0.802269 V\n0.637931 0.593907 0.306048 V\n0.624086 0.569552 0.806365 V\n0.614390 0.817090 0.568523 V\n0.146629 0.548458 0.802269 V\n0.390118 0.688867 0.921018 O\n0.381474 0.921746 0.696783 O\n0.393988 0.456558 0.686006 O\n0.857439 0.920009 0.686006 O\n0.850158 0.714713 0.435133 O\n0.391999 0.415308 0.192695 O\n0.861357 0.207159 0.931486 O\n0.857007 0.430320 0.712676 O\n0.880006 0.925560 0.194438 O\n0.379100 0.684203 0.440578 F\n0.875221 0.180324 0.440578 F\n0.869601 0.447823 0.193826 F\n0.366948 0.210707 0.422347 F\n0.869653 0.666671 0.938134 F\n0.395197 0.192215 0.938134 F\n0.358354 0.936574 0.193826 F\n",
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{
"id": "jvasp-48966",
"created_at": "2022-09-04T14:36:08.881895Z",
"updated_at": "2022-09-04T14:36:08.881916Z",
"structure_string": "Li4 Mn2 O4 F2\n1.0\n2.546264 4.394344 0.044857\n-2.546264 4.394344 -0.044857\n-1.870071 0.000000 4.735786\nLi Mn O F\n4 2 4 2\ndirect\n0.253217 0.241323 0.754331 Li\n0.567625 0.605352 0.767083 Li\n0.394647 0.432375 0.267082 Li\n0.758675 0.746782 0.254331 Li\n0.924597 0.875549 0.750169 Mn\n0.124450 0.075402 0.250168 Mn\n0.154408 0.711348 0.496649 O\n0.288652 0.845590 0.996650 O\n0.007097 0.473800 0.007696 O\n0.526200 0.992902 0.507697 O\n0.659202 0.158773 0.974074 F\n0.841226 0.340797 0.474073 F\n",
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"formula_full": "Li4 Mn2 O4 F2",
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}
]
}