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{
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{
"id": "jvasp-119452",
"created_at": "2022-09-04T14:38:44.406785Z",
"updated_at": "2022-09-04T14:38:44.406809Z",
"structure_string": "Sr1 Ho2 Al2 O7\n1.0\n3.648199 0.007363 -9.418779\n-0.120577 3.646213 -9.418779\n-0.007109 -0.007363 10.100628\nSr Ho Al O\n1 2 2 7\ndirect\n0.500000 0.499999 -0.000001 Sr\n0.318034 0.318033 -0.000001 Ho\n0.681966 0.681965 -0.000002 Ho\n0.096882 0.096882 -0.000000 Al\n0.903118 0.903116 -0.000002 Al\n0.606408 0.106408 0.500000 O\n0.393591 0.893591 0.499999 O\n0.106408 0.606408 0.499999 O\n0.893592 0.393591 0.499999 O\n0.000000 0.000000 0.000000 O\n0.205174 0.205174 -0.000000 O\n0.794825 0.794824 -0.000002 O\n",
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{
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"structure_string": "Ti6 Ge6 Ir6\n1.0\n6.469571 -0.008667 -3.828504\n-1.648095 5.678176 -4.642733\n0.011902 0.008667 7.517490\nTi Ge Ir\n6 6 6\ndirect\n0.443937 0.397317 0.453381 Ti\n0.556063 0.009444 0.953381 Ti\n0.016436 0.010607 0.494170 Ti\n0.983563 0.477733 0.994171 Ti\n0.249731 0.580314 0.830584 Ti\n0.750270 0.580854 0.330584 Ti\n0.798987 0.049011 0.750023 Ge\n0.201013 0.951035 0.250024 Ge\n0.335542 0.334167 0.005436 Ge\n0.664459 0.669893 -0.001374 Ge\n0.828731 0.334167 0.498626 Ge\n0.171269 0.669894 0.505437 Ge\n0.427583 0.748572 0.422736 Ir\n0.572418 0.995153 0.320991 Ir\n0.825839 0.748572 0.820991 Ir\n0.174162 0.995153 0.922736 Ir\n0.000000 0.254058 0.254058 Ir\n0.500000 0.254058 0.754058 Ir\n",
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{
"id": "jvasp-112124",
"created_at": "2022-09-04T14:38:44.399085Z",
"updated_at": "2022-09-04T14:38:44.399111Z",
"structure_string": "H20 Pb1 C12 O4\n1.0\n4.062518 -0.188638 -0.299567\n-0.520637 4.482624 -0.154698\n0.203465 1.838311 16.614214\nH Pb C O\n20 1 12 4\ndirect\n0.637015 0.467581 0.376571 H\n0.983112 0.342436 0.470623 H\n0.110358 0.335903 0.924753 H\n0.503271 0.314497 0.973023 H\n0.356719 0.479242 0.790083 H\n0.763625 0.463844 0.830629 H\n0.591171 0.629994 0.651593 H\n-0.000436 0.624779 0.692439 H\n0.814360 0.792333 0.512954 H\n0.220602 0.779353 0.554424 H\n0.033923 -0.041036 0.373182 H\n0.427785 -0.086891 0.417030 H\n0.312941 0.889529 0.883352 H\n0.708485 0.849203 0.927151 H\n0.519826 0.022613 0.745929 H\n0.927077 0.013383 0.787251 H\n0.743004 0.178440 0.608385 H\n0.151493 0.172636 0.649105 H\n0.245977 0.491947 0.327673 H\n0.389129 0.322548 0.511109 H\n0.874374 0.902539 0.150623 Pb\n0.217568 0.577496 0.030152 C\n0.327269 0.471024 0.954012 C\n0.485566 0.725483 0.896817 C\n0.577305 0.615678 0.818187 C\n0.709566 0.874039 0.758777 C\n0.807633 0.771132 0.679906 C\n0.257934 0.079611 0.403831 C\n0.032563 0.929640 0.541729 C\n0.167419 0.188455 0.482753 C\n0.419782 0.333767 0.347036 C\n0.530706 0.227338 0.270990 C\n0.934909 0.031965 0.620706 C\n-0.017529 0.418926 0.067837 O\n0.765426 0.386805 0.233357 O\n0.389447 -0.027910 0.246629 O\n0.360482 0.831932 0.054724 O\n",
"nsites": 37,
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"elements": [
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"density_atomic": 0.1222547961096283,
"volume": 302.64661328150567,
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"formula_full": "H20 Pb1 C12 O4",
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{
"id": "jvasp-116677",
"created_at": "2022-09-04T14:38:44.398502Z",
"updated_at": "2022-09-04T14:38:44.398531Z",
"structure_string": "Mn4 Co2 O8\n1.0\n5.212105 -0.000174 2.745375\n-1.438881 5.017138 2.731226\n0.235834 0.329081 5.872257\nMn Co O\n4 2 8\ndirect\n0.625000 0.374999 0.749999 Mn\n0.625001 0.374999 0.250003 Mn\n0.124996 0.374999 0.250003 Mn\n0.625000 0.875004 0.749999 Mn\n0.250005 0.750002 0.500002 Co\n-0.000005 -0.000002 -0.000001 Co\n0.400743 0.133471 0.733067 O\n0.866192 0.133482 0.733062 O\n0.383806 0.616519 0.766939 O\n0.849256 0.616531 0.766934 O\n0.866529 0.133810 0.266941 O\n0.866533 0.599243 0.266935 O\n0.383465 0.150757 0.233069 O\n0.383470 0.616192 0.233062 O\n",
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"formula_full": "Mn4 Co2 O8",
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{
"id": "jvasp-112882",
"created_at": "2022-09-04T14:38:44.395267Z",
"updated_at": "2022-09-04T14:38:44.395298Z",
"structure_string": "Na2 Ca2 Si2 O8\n1.0\n5.362843 0.019812 0.000000\n-2.378533 4.806564 0.000000\n-0.000000 -0.000000 7.148783\nNa Ca Si O\n2 2 2 8\ndirect\n0.684549 0.315450 0.750000 Na\n0.315450 0.684549 0.250000 Na\n-0.000077 -0.000077 0.000000 Ca\n0.000077 0.000077 0.500000 Ca\n0.357887 0.642112 0.750000 Si\n0.642113 0.357886 0.250000 Si\n0.697270 0.776502 0.749945 O\n0.776502 0.697269 0.250055 O\n0.302730 0.223497 0.249945 O\n0.223497 0.302729 0.750055 O\n0.253991 0.746379 0.938965 O\n0.746379 0.253990 0.061035 O\n0.746009 0.253620 0.438965 O\n0.253620 0.746008 0.561034 O\n",
"nsites": 14,
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{
"id": "jvasp-112089",
"created_at": "2022-09-04T14:38:44.392384Z",
"updated_at": "2022-09-04T14:38:44.392413Z",
"structure_string": "H6 C6 S2 N2 O2\n1.0\n4.418654 -0.233889 2.088257\n-0.014597 6.193485 2.486530\n0.080037 -0.147670 7.073518\nH C S N O\n6 6 2 2 2\ndirect\n0.531838 0.160365 0.015157 H\n0.537657 0.253884 0.579811 H\n0.598977 0.435653 0.869710 H\n0.531801 0.660365 0.515153 H\n0.537621 0.753879 0.079807 H\n0.598941 0.935654 0.369707 H\n0.127895 0.254869 0.846178 C\n0.127857 0.754878 0.346170 C\n0.618531 0.778790 0.344942 C\n0.949053 0.748615 0.219524 C\n0.618568 0.278789 0.844947 C\n0.949089 0.248615 0.719528 C\n0.094598 0.213035 0.479079 S\n0.094561 0.713024 0.979079 S\n0.434084 0.266113 0.736125 N\n0.434049 0.766115 0.236119 N\n-0.008444 0.751456 0.543032 O\n-0.008408 0.251438 0.043041 O\n",
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{
"id": "jvasp-116780",
"created_at": "2022-09-04T14:38:44.388197Z",
"updated_at": "2022-09-04T14:38:44.388214Z",
"structure_string": "Ca4 Mn4 O10\n1.0\n3.803073 -0.000000 0.000000\n0.000000 5.400960 0.000000\n-0.000000 -0.000000 10.185382\nCa Mn O\n4 4 10\ndirect\n0.500000 0.689283 0.867335 Ca\n0.500000 0.310717 0.132665 Ca\n0.500000 0.189283 0.632665 Ca\n0.500000 0.810717 0.367335 Ca\n-0.000000 0.716691 0.619163 Mn\n-0.000000 0.283309 0.380837 Mn\n-0.000000 0.783309 0.119163 Mn\n-0.000000 0.216691 0.880837 Mn\n0.500000 0.706493 0.601487 O\n-0.000000 0.417360 0.714518 O\n0.500000 0.206493 0.898513 O\n0.500000 0.793507 0.101487 O\n0.000000 0.000000 0.500000 O\n-0.000000 0.082640 0.214518 O\n-0.000000 0.582641 0.285482 O\n-0.000000 0.500000 -0.000000 O\n-0.000000 0.917360 0.785482 O\n0.500000 0.293507 0.398513 O\n",
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{
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"created_at": "2022-09-04T14:38:44.378814Z",
"updated_at": "2022-09-04T14:38:44.378843Z",
"structure_string": "Li4 Co2 Ni2 O8\n1.0\n4.944488 0.015567 -2.930829\n-1.586276 4.680539 -2.935004\n-0.024057 -0.015567 5.747794\nLi Co Ni O\n4 2 2 8\ndirect\n0.500000 0.000000 0.000000 Li\n0.500000 0.500001 0.000000 Li\n-0.000001 0.500000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n-0.000000 0.500000 0.000000 Co\n-0.000000 -0.000000 0.499999 Co\n0.500000 -0.000000 0.499999 Ni\n0.000000 0.000000 0.000000 Ni\n0.770164 0.750160 0.020005 O\n0.767270 0.249405 0.982133 O\n0.232729 0.214863 0.482134 O\n0.769845 0.249841 0.520004 O\n0.230154 0.750159 0.479996 O\n0.767270 0.785137 0.517866 O\n0.232729 0.750595 0.017866 O\n0.229836 0.249840 0.979994 O\n",
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{
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"created_at": "2022-09-04T14:38:44.377890Z",
"updated_at": "2022-09-04T14:38:44.377914Z",
"structure_string": "Pr2 In8 Ni2\n1.0\n8.781204 -0.027907 0.000000\n-7.620688 4.362963 0.000000\n-0.000000 -0.000000 7.246052\nPr In Ni\n2 8 2\ndirect\n0.882932 0.117067 0.750000 Pr\n0.117067 0.882932 0.250000 Pr\n0.499999 0.499999 -0.000000 In\n0.499999 0.499999 0.500000 In\n0.074658 0.925340 0.750000 In\n0.925340 0.074659 0.250000 In\n0.688395 0.311603 0.953737 In\n0.311603 0.688395 0.046262 In\n0.688395 0.311603 0.546262 In\n0.311603 0.688395 0.453737 In\n0.225025 0.774974 0.750000 Ni\n0.774974 0.225025 0.250000 Ni\n",
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{
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"created_at": "2022-09-04T14:38:44.377205Z",
"updated_at": "2022-09-04T14:38:44.377220Z",
"structure_string": "Ce4 V4 O16\n1.0\n7.197947 0.000000 0.000000\n-0.000000 5.457949 3.867839\n-0.000000 0.056623 8.271841\nCe V O\n4 4 16\ndirect\n0.345839 0.825753 0.776048 Ce\n0.154162 0.825753 0.276048 Ce\n0.654162 0.174247 0.223952 Ce\n0.845839 0.174246 0.723953 Ce\n0.335248 0.317962 0.798518 V\n0.164752 0.317962 0.298518 V\n0.664753 0.682038 0.201482 V\n0.835248 0.682038 0.701482 V\n0.220734 0.622152 0.112309 O\n0.279266 0.622152 0.612310 O\n0.893515 0.651813 0.514917 O\n0.606485 0.651813 0.014917 O\n0.106485 0.348187 0.485083 O\n0.393515 0.348186 0.985083 O\n0.649847 0.885493 0.611107 O\n0.005132 0.825119 0.753511 O\n0.350154 0.114507 0.388893 O\n0.149847 0.114506 0.888893 O\n0.720734 0.377848 0.387691 O\n0.494868 0.825119 0.253511 O\n0.994869 0.174881 0.246489 O\n0.505132 0.174881 0.746490 O\n0.850154 0.885493 0.111107 O\n0.779266 0.377848 0.887691 O\n",
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},
{
"id": "jvasp-118397",
"created_at": "2022-09-04T14:38:44.374470Z",
"updated_at": "2022-09-04T14:38:44.374496Z",
"structure_string": "Ge1 Pb1 S2\n1.0\n4.073857 0.000000 0.000000\n0.000000 4.073857 -0.000000\n0.000000 -0.000000 5.918032\nGe Pb S\n1 1 2\ndirect\n0.500001 0.500001 0.536228 Ge\n0.000000 0.000000 0.021525 Pb\n0.000000 0.000000 0.508833 S\n0.500001 0.500001 0.943413 S\n",
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},
{
"id": "jvasp-112915",
"created_at": "2022-09-04T14:38:44.373038Z",
"updated_at": "2022-09-04T14:38:44.373064Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n10.237751 -0.091924 0.848062\n-9.174160 4.544754 0.848062\n-0.027466 -0.114989 4.965373\nLi Mn Co O\n8 2 4 14\ndirect\n0.784871 0.215129 0.499999 Li\n0.215128 0.784870 0.500000 Li\n0.640431 0.359569 0.499999 Li\n0.064561 0.935437 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.935438 0.064563 0.499999 Li\n0.359568 0.640431 0.500000 Li\n0.000000 0.000000 0.000000 Li\n0.860197 0.139804 -0.000000 Mn\n0.139803 0.860196 -0.000000 Mn\n0.570498 0.429502 -0.000000 Co\n0.429502 0.570498 -0.000000 Co\n0.285806 0.714193 -0.000000 Co\n0.714193 0.285807 -0.000000 Co\n0.168920 0.321986 0.770569 O\n0.545916 0.976267 0.219959 O\n0.976267 0.545917 0.219959 O\n0.401621 0.114294 0.221338 O\n0.831079 0.678014 0.229430 O\n0.279226 0.279226 0.226365 O\n0.678014 0.831079 0.229430 O\n0.114294 0.401621 0.221338 O\n0.023732 0.454083 0.780040 O\n0.454083 0.023733 0.780040 O\n0.885706 0.598379 0.778661 O\n0.321985 0.168921 0.770569 O\n0.720773 0.720774 0.773634 O\n0.598378 0.885705 0.778661 O\n",
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]
}