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{
"id": "jvasp-100741",
"created_at": "2022-09-04T14:36:36.612929Z",
"updated_at": "2022-09-04T14:36:36.612959Z",
"structure_string": "Mo1 Pb1 O3\n1.0\n4.015038 -0.000000 0.000000\n0.000000 4.015038 0.000000\n-0.000000 -0.000000 4.015038\nMo Pb O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Mo\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 -0.000000 O\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n",
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{
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"structure_string": "Li1 Mo1 O1\n1.0\n5.463010 -1.630089 0.000000\n-4.102600 3.959215 0.000000\n0.000000 0.000000 2.599085\nLi Mo O\n1 1 1\ndirect\n0.287877 0.045549 0.000000 Li\n0.038017 0.295198 0.000000 Mo\n0.674107 0.659254 0.000000 O\n",
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{
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"structure_string": "Nb2 Ga2 O8\n1.0\n3.838277 0.000000 0.000000\n-1.919138 6.022192 -1.964160\n0.000000 0.012255 6.716261\nNb Ga O\n2 2 8\ndirect\n0.101612 0.207039 0.232201 Nb\n0.894573 0.792960 0.767798 Nb\n0.195126 0.394064 0.816105 Ga\n0.801063 0.605934 0.183894 Ga\n0.861319 0.726451 0.482671 O\n0.134867 0.273548 0.517329 O\n0.943219 0.890254 0.132943 O\n0.052964 0.109744 0.867057 O\n0.257000 0.517811 0.145377 O\n0.739189 0.482188 0.854623 O\n0.358992 0.721798 0.797348 O\n0.637194 0.278201 0.202651 O\n",
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"formula_full": "Nb2 Ga2 O8",
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{
"id": "jvasp-68084",
"created_at": "2022-09-04T14:36:15.552901Z",
"updated_at": "2022-09-04T14:36:15.552940Z",
"structure_string": "Be1 Zn2 Tc1\n1.0\n-1.829371 1.829371 3.867945\n1.829371 -1.829371 3.867945\n1.829371 1.829371 -3.867945\nBe Zn Tc\n1 2 1\ndirect\n0.499999 0.499999 0.000000 Be\n0.000000 0.000000 0.000000 Zn\n0.250000 0.749999 0.500000 Zn\n0.749999 0.250000 0.500000 Tc\n",
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"formula_full": "Be1 Zn2 Tc1",
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"spacegroup": 119
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{
"id": "jvasp-70452",
"created_at": "2022-09-04T14:35:54.438068Z",
"updated_at": "2022-09-04T14:35:54.438088Z",
"structure_string": "Be1 Zn1 Tc1\n1.0\n1.343144 -2.326394 0.000000\n1.343144 2.326394 -0.000000\n0.000000 0.000000 6.213579\nBe Zn Tc\n1 1 1\ndirect\n0.000000 0.000000 0.005964 Be\n0.333332 0.666665 0.680906 Zn\n0.666665 0.333332 0.313130 Tc\n",
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{
"id": "jvasp-22563",
"created_at": "2022-09-04T14:35:45.527374Z",
"updated_at": "2022-09-04T14:35:45.527383Z",
"structure_string": "Na2 C1 N2\n1.0\n3.428819 0.009686 0.841715\n-0.173511 3.424440 0.841715\n-0.030449 -0.032122 5.495181\nNa C N\n2 1 2\ndirect\n0.322881 0.322882 0.309138 Na\n0.677119 0.677120 0.690860 Na\n0.000000 0.000000 0.000000 C\n0.160778 0.160779 0.773861 N\n0.839222 0.839223 0.226137 N\n",
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{
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"created_at": "2022-09-04T14:36:06.649751Z",
"updated_at": "2022-09-04T14:36:06.649772Z",
"structure_string": "Be1 Cr2 Hg1\n1.0\n-1.744672 1.744672 4.252279\n1.744672 -1.744672 4.252279\n1.744672 1.744672 -4.252279\nBe Cr Hg\n1 2 1\ndirect\n0.750000 0.250000 0.499999 Be\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.000000 Cr\n0.250000 0.750000 0.499999 Hg\n",
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{
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"created_at": "2022-09-04T14:38:51.845550Z",
"updated_at": "2022-09-04T14:38:51.845573Z",
"structure_string": "Ca1 Hf8 N8 O4\n1.0\n5.287219 0.002168 1.297711\n3.125957 4.475428 -1.227816\n0.015187 -0.026477 11.505823\nCa Hf N O\n1 8 8 4\ndirect\n0.744571 0.377389 0.141993 Ca\n0.256243 0.214266 0.295702 Hf\n0.113365 0.020943 0.774592 Hf\n0.266028 0.553907 0.967801 Hf\n0.658245 0.181695 0.557019 Hf\n0.473346 0.710933 0.466910 Hf\n0.954477 0.817714 0.267046 Hf\n0.557220 0.937279 0.001103 Hf\n0.863359 0.609629 0.706804 Hf\n0.697512 0.110441 0.875569 N\n0.986238 0.182676 0.627672 N\n0.792412 0.921370 0.123158 N\n0.400852 0.777916 0.867324 N\n0.203354 0.361827 0.122792 N\n0.266576 0.602019 0.632826 N\n0.504140 0.024204 0.401841 N\n0.868341 0.237796 0.393745 N\n0.026878 0.467960 0.863377 O\n0.355108 0.783084 0.125507 O\n0.304633 0.582470 0.341590 O\n0.609454 0.864864 0.620892 O\n",
"nsites": 21,
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],
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"volume_molar": 7.794709464048268,
"formula_full": "Ca1 Hf8 N8 O4",
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{
"id": "jvasp-95310",
"created_at": "2022-09-04T14:36:19.556538Z",
"updated_at": "2022-09-04T14:36:19.556572Z",
"structure_string": "Ca4 Nb8 O24\n1.0\n5.274679 0.000000 0.000000\n-0.000000 5.831941 0.000000\n0.000000 0.000000 15.146490\nCa Nb O\n4 8 24\ndirect\n0.750000 0.221783 0.000000 Ca\n0.250000 0.778217 0.000000 Ca\n0.750000 0.721783 0.500000 Ca\n0.250000 0.278217 0.500000 Ca\n0.298711 0.812932 0.335183 Nb\n0.701290 0.187068 0.664817 Nb\n0.201289 0.812932 0.664817 Nb\n0.701290 0.687068 0.835183 Nb\n0.298711 0.312932 0.164817 Nb\n0.798711 0.187068 0.335183 Nb\n0.798711 0.687068 0.164817 Nb\n0.201289 0.312932 0.835183 Nb\n0.093004 0.094925 0.912361 O\n0.007139 0.929595 0.401522 O\n0.507139 0.570405 0.098478 O\n0.492862 0.929595 0.598478 O\n0.992862 0.570405 0.901522 O\n0.593004 0.405075 0.587639 O\n0.876227 0.362871 0.757437 O\n0.406996 0.594925 0.412361 O\n0.376227 0.137129 0.742563 O\n0.623773 0.362871 0.242563 O\n0.123773 0.137129 0.257437 O\n0.123773 0.637129 0.242563 O\n0.623773 0.862870 0.257437 O\n0.376227 0.637129 0.757437 O\n0.406996 0.094925 0.087639 O\n0.876227 0.862870 0.742563 O\n0.492862 0.429595 0.901522 O\n0.507139 0.070405 0.401522 O\n0.007139 0.429595 0.098478 O\n0.593004 0.905075 0.912361 O\n0.093004 0.594925 0.587639 O\n0.906996 0.905075 0.087639 O\n0.992862 0.070405 0.598478 O\n0.906996 0.405075 0.412361 O\n",
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"formula_full": "Ca4 Nb8 O24",
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{
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"created_at": "2022-09-04T14:38:15.300250Z",
"updated_at": "2022-09-04T14:38:15.300273Z",
"structure_string": "Sr3 P2 O8\n1.0\n5.030524 -0.001779 5.321623\n2.115981 4.563858 5.321623\n-0.002788 -0.001779 7.322967\nSr P O\n3 2 8\ndirect\n0.206103 0.206104 0.206104 Sr\n0.793895 0.793897 0.793897 Sr\n0.000000 0.000000 0.000000 Sr\n0.406700 0.406700 0.406701 P\n0.593299 0.593300 0.593300 P\n0.277062 0.277063 0.745880 O\n0.277062 0.745880 0.277063 O\n0.745879 0.277063 0.277063 O\n0.254120 0.722937 0.722937 O\n0.722936 0.722937 0.254120 O\n0.670867 0.670868 0.670868 O\n0.329132 0.329132 0.329132 O\n0.722936 0.254120 0.722938 O\n",
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"volume": 168.24794712325487,
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{
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"created_at": "2022-09-04T14:37:19.533902Z",
"updated_at": "2022-09-04T14:37:19.533927Z",
"structure_string": "Ta1 Fe2 Ge1\n1.0\n-9.822869 2.282015 -1.944721\n-7.044803 0.516105 0.795554\n-5.884307 3.798484 -1.214484\nTa Fe Ge\n1 2 1\ndirect\n0.500000 0.000000 -0.000001 Ta\n0.750476 -0.000303 -0.000305 Fe\n0.249525 0.000303 0.000303 Fe\n0.000000 0.000000 0.000000 Ge\n",
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{
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"created_at": "2022-09-04T14:38:32.014013Z",
"updated_at": "2022-09-04T14:38:32.014048Z",
"structure_string": "Na4 Mn4 As4 O16\n1.0\n5.215440 -0.000000 0.000000\n-0.000000 6.405857 0.000000\n0.000000 0.000000 10.846305\nNa Mn As O\n4 4 4 16\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.500000 0.000000 Na\n0.500000 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n0.491497 0.250000 0.780847 Mn\n0.991497 0.750000 0.719153 Mn\n0.008503 0.250000 0.280847 Mn\n0.508503 0.750000 0.219153 Mn\n0.555988 0.250000 0.103867 As\n0.055988 0.750000 0.396133 As\n0.444012 0.750000 0.896133 As\n0.944012 0.250000 0.603866 As\n0.328975 0.750000 0.045888 O\n0.828975 0.250000 0.454111 O\n0.271647 0.250000 0.610557 O\n0.771647 0.750000 0.889442 O\n0.728353 0.750000 0.389442 O\n0.228353 0.250000 0.110557 O\n0.794756 0.458838 0.677409 O\n0.794756 0.041163 0.677409 O\n0.205244 0.958838 0.322591 O\n0.705244 0.041163 0.177409 O\n0.205244 0.541163 0.322591 O\n0.705244 0.458838 0.177409 O\n0.671025 0.250000 0.954111 O\n0.294756 0.958838 0.822591 O\n0.294756 0.541163 0.822591 O\n0.171025 0.750000 0.545888 O\n",
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}
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}