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{
"id": "jvasp-114391",
"created_at": "2022-09-04T14:38:41.093149Z",
"updated_at": "2022-09-04T14:38:41.093179Z",
"structure_string": "Zn1 Sn1 O1\n1.0\n6.604132 -0.000000 0.000000\n-0.000000 6.604132 0.000000\n0.000000 0.000000 4.762595\nZn Sn O\n1 1 1\ndirect\n-0.019730 0.275924 0.000000 Zn\n0.293925 -0.018177 0.000000 Sn\n-0.038107 -0.042383 0.000000 O\n",
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{
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"created_at": "2022-09-04T14:38:41.096884Z",
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"structure_string": "P2 Ir1\n1.0\n4.953179 0.000000 0.000000\n0.000000 3.764598 0.000000\n0.000000 0.000000 2.822853\nP Ir\n2 1\ndirect\n0.282131 -0.049336 0.000000 P\n0.717869 -0.049336 0.000000 P\n0.000000 0.450672 0.000000 Ir\n",
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{
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"updated_at": "2022-09-04T14:38:41.100835Z",
"structure_string": "Pr12 Ir4 Br12\n1.0\n9.849473 0.000000 -3.482315\n-4.924737 8.529894 -3.482315\n-0.000000 -0.000000 10.446944\nPr Ir Br\n12 4 12\ndirect\n0.473150 0.486575 0.236575 Pr\n0.750000 0.236575 0.263425 Pr\n0.750000 0.013425 0.486575 Pr\n0.236575 0.473150 0.486575 Pr\n0.263424 0.750000 0.236575 Pr\n0.026850 0.263425 0.013425 Pr\n0.013425 0.026850 0.263425 Pr\n0.486575 0.750000 0.013425 Pr\n0.486575 0.236575 0.473150 Pr\n0.013425 0.486575 0.750000 Pr\n0.263425 0.013425 0.026850 Pr\n0.236575 0.263425 0.750000 Pr\n0.250000 0.500000 0.000000 Ir\n-0.000000 0.250000 0.500000 Ir\n0.500000 -0.000000 0.250000 Ir\n0.250000 0.250000 0.250000 Ir\n0.250000 0.758133 0.741866 Br\n0.516268 0.508133 0.758133 Br\n0.983731 0.741866 0.991867 Br\n0.741866 0.250000 0.758134 Br\n0.991866 0.983732 0.741867 Br\n0.249999 0.991866 0.508134 Br\n0.758133 0.516268 0.508134 Br\n0.508133 0.250000 0.991866 Br\n0.758133 0.741866 0.250000 Br\n0.741866 0.991866 0.983732 Br\n0.991866 0.508133 0.250000 Br\n0.508133 0.758133 0.516268 Br\n",
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"formula_full": "Pr12 Ir4 Br12",
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"spacegroup": 214
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{
"id": "jvasp-114749",
"created_at": "2022-09-04T14:38:41.105162Z",
"updated_at": "2022-09-04T14:38:41.105179Z",
"structure_string": "Cd2 F1\n1.0\n3.053731 0.000000 0.173021\n0.000000 2.992262 0.000000\n-0.378252 0.000000 6.769420\nCd F\n2 1\ndirect\n-0.032500 0.000000 -0.145062 Cd\n-0.034112 0.000000 0.411699 Cd\n0.466613 0.000000 0.133362 F\n",
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{
"id": "jvasp-112521",
"created_at": "2022-09-04T14:38:41.107492Z",
"updated_at": "2022-09-04T14:38:41.107527Z",
"structure_string": "Hf10 Ni2 Sb6\n1.0\n8.560961 -0.000000 0.000000\n-4.280480 7.414010 0.000000\n0.000000 -0.000000 5.733139\nHf Ni Sb\n10 2 6\ndirect\n0.666667 0.333333 0.500000 Hf\n0.000000 0.744986 0.750000 Hf\n0.255014 0.255014 0.750000 Hf\n0.000000 0.255014 0.250000 Hf\n0.255014 0.000000 0.250000 Hf\n0.744986 0.000000 0.750000 Hf\n0.666667 0.333333 -0.000000 Hf\n0.333333 0.666667 -0.000000 Hf\n0.333333 0.666667 0.500000 Hf\n0.744986 0.744986 0.250000 Hf\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.388869 0.000000 0.750000 Sb\n0.388869 0.388869 0.250000 Sb\n0.611131 0.000000 0.250000 Sb\n0.000000 0.611131 0.250000 Sb\n0.611131 0.611131 0.750000 Sb\n0.000000 0.388869 0.750000 Sb\n",
"nsites": 18,
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"formula_full": "Hf10 Ni2 Sb6",
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{
"id": "jvasp-114544",
"created_at": "2022-09-04T14:38:41.115660Z",
"updated_at": "2022-09-04T14:38:41.115678Z",
"structure_string": "Ba1 Ca1 I1\n1.0\n4.074335 -0.000000 -0.000000\n0.000000 4.074335 -0.000000\n0.000000 0.000000 10.168785\nBa Ca I\n1 1 1\ndirect\n0.000000 0.000000 0.322982 Ba\n0.000000 0.000000 0.708001 Ca\n0.000000 0.000000 -0.001624 I\n",
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{
"id": "jvasp-111577",
"created_at": "2022-09-04T14:38:41.118231Z",
"updated_at": "2022-09-04T14:38:41.118259Z",
"structure_string": "Mn4 F8\n1.0\n5.232171 -0.000006 0.000208\n-0.000021 5.232026 0.000133\n0.000363 0.000579 5.200528\nMn F\n4 8\ndirect\n0.500033 0.500058 -0.000006 Mn\n0.000004 0.000008 0.000004 Mn\n-0.000009 0.499977 0.500004 Mn\n0.499987 0.000002 0.500005 Mn\n0.279930 0.720134 0.744503 F\n0.720072 0.279890 0.744537 F\n0.779823 0.779774 0.745242 F\n0.220195 0.220246 0.745155 F\n0.720059 0.720110 0.255532 F\n0.779806 0.220223 0.254820 F\n0.220185 0.779730 0.254786 F\n0.279912 0.279848 0.255420 F\n",
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"volume": 142.36369760859452,
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"formula_full": "Mn4 F8",
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"spacegroup": 125
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{
"id": "jvasp-116086",
"created_at": "2022-09-04T14:38:41.119463Z",
"updated_at": "2022-09-04T14:38:41.119487Z",
"structure_string": "Zr1 Tl1 F3\n1.0\n4.408413 0.000000 0.000000\n0.000000 4.408413 0.000000\n-0.000000 -0.000000 4.408413\nZr Tl F\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 Tl\n0.000000 0.500000 0.000000 F\n0.000000 0.000000 0.500000 F\n0.500000 0.000000 0.000000 F\n",
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{
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"created_at": "2022-09-04T14:38:41.124750Z",
"updated_at": "2022-09-04T14:38:41.124783Z",
"structure_string": "B1 Br3\n1.0\n6.369184 0.000000 -0.000000\n-3.184592 5.515875 0.000000\n-0.000000 0.000000 4.018956\nB Br\n1 3\ndirect\n0.000000 0.000000 0.000000 B\n0.300307 0.000000 0.000000 Br\n1.000000 0.300307 0.000000 Br\n0.699693 0.699694 0.000000 Br\n",
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{
"id": "jvasp-116208",
"created_at": "2022-09-04T14:38:41.127174Z",
"updated_at": "2022-09-04T14:38:41.127199Z",
"structure_string": "In2 H2\n1.0\n3.444633 -0.000000 0.000000\n-0.000000 3.444633 -0.000000\n0.000000 -0.000000 5.603640\nIn H\n2 2\ndirect\n0.000000 0.000000 0.258059 In\n0.500000 0.500000 0.741941 In\n0.000000 0.000000 0.887193 H\n0.500000 0.500000 0.112807 H\n",
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{
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"created_at": "2022-09-04T14:38:41.131528Z",
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"structure_string": "Ba2 Cl2\n1.0\n5.074726 0.069283 -0.425495\n0.112848 -5.051723 0.503956\n-0.706971 4.296443 -7.670207\nBa Cl\n2 2\ndirect\n0.934031 0.773853 -0.039304 Ba\n0.434075 0.778885 0.467263 Ba\n0.934001 0.526910 0.214820 Cl\n0.434109 0.025824 0.213161 Cl\n",
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{
"id": "jvasp-112483",
"created_at": "2022-09-04T14:38:41.132720Z",
"updated_at": "2022-09-04T14:38:41.132747Z",
"structure_string": "Sm1 Mo6 Se8\n1.0\n6.794246 0.013002 0.126374\n0.124287 6.793121 0.126373\n0.013217 0.013002 6.795408\nSm Mo Se\n1 6 8\ndirect\n0.000000 0.000000 0.000000 Sm\n0.763753 0.576242 0.439883 Mo\n0.439884 0.763751 0.576242 Mo\n0.576243 0.439883 0.763751 Mo\n0.236249 0.423757 0.560117 Mo\n0.560117 0.236248 0.423757 Mo\n0.423758 0.560117 0.236248 Mo\n0.760796 0.760794 0.760794 Se\n0.239206 0.239205 0.239205 Se\n0.242798 0.626797 0.879814 Se\n0.879815 0.242796 0.626797 Se\n0.626798 0.879814 0.242796 Se\n0.757204 0.373202 0.120185 Se\n0.120186 0.757203 0.373202 Se\n0.373203 0.120185 0.757203 Se\n",
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