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{
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{
"id": "jvasp-39231",
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"structure_string": "Sb1 Pd3\n1.0\n0.000000 3.225220 3.225220\n3.225220 -0.000000 3.225220\n3.225220 3.225220 -0.000000\nSb Pd\n1 3\ndirect\n0.750001 0.750001 0.750001 Sb\n0.000000 0.000000 0.000000 Pd\n0.499999 0.499999 0.499999 Pd\n0.250001 0.250001 0.250001 Pd\n",
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{
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"structure_string": "Sb2 Pd2\n1.0\n2.071075 -3.587208 -0.000000\n2.071075 3.587208 -0.000000\n-0.000000 0.000000 5.711446\nSb Pd\n2 2\ndirect\n0.333334 0.666668 0.750001 Sb\n0.666668 0.333334 0.250000 Sb\n0.000000 0.000000 0.000000 Pd\n0.000000 0.000000 0.500000 Pd\n",
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{
"id": "jvasp-102979",
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"structure_string": "Sb2 Pd6\n1.0\n5.753698 0.000000 0.000000\n-2.876848 4.982849 0.000000\n0.000000 0.000000 4.673262\nSb Pd\n2 6\ndirect\n0.333333 0.666667 0.750000 Sb\n0.666667 0.333333 0.250000 Sb\n0.166587 0.333173 0.250000 Pd\n0.666827 0.833414 0.250000 Pd\n0.166587 0.833414 0.250000 Pd\n0.833414 0.666827 0.750000 Pd\n0.333173 0.166587 0.750000 Pd\n0.833414 0.166587 0.750000 Pd\n",
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{
"id": "jvasp-20142",
"created_at": "2022-09-04T14:38:08.415453Z",
"updated_at": "2022-09-04T14:38:08.415481Z",
"structure_string": "Sb8 Pd4\n1.0\n6.577213 -0.000000 -0.000000\n-0.000000 6.577213 0.000000\n0.000000 -0.000000 6.577213\nSb Pd\n8 4\ndirect\n0.373345 0.373345 0.373345 Sb\n0.126655 0.626655 0.873344 Sb\n0.873344 0.126655 0.626655 Sb\n0.626655 0.873344 0.126655 Sb\n0.626655 0.626655 0.626655 Sb\n0.873344 0.373345 0.126655 Sb\n0.126655 0.873344 0.373345 Sb\n0.373345 0.126655 0.873344 Sb\n0.000000 0.000000 0.000000 Pd\n0.500000 0.000000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n0.000000 0.500000 0.500000 Pd\n",
"nsites": 12,
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"elements": [
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"formula_full": "Sb8 Pd4",
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"spacegroup": 205
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{
"id": "jvasp-23395",
"created_at": "2022-09-04T14:37:42.987223Z",
"updated_at": "2022-09-04T14:37:42.987246Z",
"structure_string": "Pd8 S8\n1.0\n6.506951 0.000000 0.000000\n-0.000000 6.506951 0.000000\n0.000000 0.000000 6.675936\nPd S\n8 8\ndirect\n0.530780 0.741903 0.000000 Pd\n0.258097 0.530780 0.500000 Pd\n0.741903 0.469220 0.500000 Pd\n0.469220 0.258097 0.000000 Pd\n0.000000 0.000000 0.750000 Pd\n0.000000 0.000000 0.250000 Pd\n0.500000 -0.000000 0.500000 Pd\n0.000000 0.500000 0.000000 Pd\n0.193623 0.307519 0.771395 S\n0.692481 0.193623 0.271394 S\n0.307519 0.806377 0.271394 S\n0.806377 0.692481 0.771395 S\n0.806377 0.692481 0.228606 S\n0.307519 0.806377 0.728606 S\n0.692481 0.193623 0.728606 S\n0.193623 0.307519 0.228606 S\n",
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"spacegroup": 84
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{
"id": "jvasp-155",
"created_at": "2022-09-04T14:36:58.147946Z",
"updated_at": "2022-09-04T14:36:58.147971Z",
"structure_string": "Pd4 S8\n1.0\n5.532249 0.000000 0.000000\n0.000000 5.612249 0.000000\n0.000000 0.000000 7.553893\nPd S\n4 8\ndirect\n0.500000 0.000000 0.500000 Pd\n0.000000 0.500000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n0.000000 0.000000 0.000000 Pd\n0.604570 0.109947 0.082911 S\n0.104570 0.390053 0.917088 S\n0.395431 0.609948 0.417089 S\n0.895431 0.890053 0.582911 S\n0.104570 0.109947 0.417089 S\n0.604570 0.390053 0.582911 S\n0.895431 0.609948 0.082911 S\n0.395431 0.890053 0.917088 S\n",
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"volume": 234.53598109217538,
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"formula_full": "Pd4 S8",
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{
"id": "jvasp-87013",
"created_at": "2022-09-04T14:36:04.902234Z",
"updated_at": "2022-09-04T14:36:04.902257Z",
"structure_string": "Pd8 S2\n1.0\n5.192164 0.000000 0.000000\n0.000000 5.192164 0.000000\n-0.000000 0.000000 5.646508\nPd S\n8 2\ndirect\n0.768248 0.355014 0.843343 Pd\n0.855013 0.268249 0.343343 Pd\n0.144986 0.731751 0.343343 Pd\n0.644985 0.768248 0.156658 Pd\n0.268249 0.144986 0.656658 Pd\n0.731751 0.855013 0.656658 Pd\n0.231751 0.644985 0.843343 Pd\n0.355014 0.231751 0.156658 Pd\n0.500000 0.500000 0.500000 S\n0.000000 0.000000 0.000000 S\n",
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"volume": 152.22176425038828,
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"spacegroup": 114
},
{
"id": "jvasp-20302",
"created_at": "2022-09-04T14:38:29.441036Z",
"updated_at": "2022-09-04T14:38:29.441060Z",
"structure_string": "Pd16 S7\n1.0\n7.387873 0.000000 -2.612007\n-3.693937 6.398085 -2.612007\n-0.000000 -0.000000 7.836023\nPd S\n16 7\ndirect\n0.752359 0.752359 0.337499 Pd\n0.247641 0.585141 -0.000000 Pd\n-0.000000 0.247641 0.585140 Pd\n0.337499 0.752359 0.752358 Pd\n0.752359 0.337500 0.752358 Pd\n0.247641 0.000000 0.585140 Pd\n0.000000 0.000000 0.232233 Pd\n-0.000000 0.232233 -0.000000 Pd\n0.232233 -0.000000 -0.000000 Pd\n0.767766 0.767767 0.767766 Pd\n0.585140 0.247641 -0.000000 Pd\n0.414859 0.414860 0.662500 Pd\n0.662500 0.414860 0.414859 Pd\n-0.000000 0.585141 0.247641 Pd\n0.585140 -0.000000 0.247641 Pd\n0.414859 0.662501 0.414859 Pd\n0.312084 0.312085 0.312084 S\n0.687915 -0.000000 -0.000000 S\n-0.000000 0.687916 -0.000000 S\n0.000000 0.000000 0.687915 S\n-0.000000 0.500000 0.500000 S\n0.500000 -0.000000 0.500000 S\n0.500000 0.500000 -0.000000 S\n",
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{
"id": "jvasp-25034",
"created_at": "2022-09-04T14:38:30.631779Z",
"updated_at": "2022-09-04T14:38:30.631794Z",
"structure_string": "Pd6 S2\n1.0\n4.597477 0.008992 0.000000\n-1.443637 4.364949 0.000000\n0.000000 0.000000 6.398531\nPd S\n6 2\ndirect\n0.147284 0.538491 0.750000 Pd\n0.535748 0.150039 0.750000 Pd\n0.998629 0.001371 0.000000 Pd\n0.998629 0.001371 0.500000 Pd\n0.461509 0.852716 0.250000 Pd\n0.849961 0.464252 0.250000 Pd\n0.309422 0.312183 0.250000 S\n0.687818 0.690578 0.750000 S\n",
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},
{
"id": "jvasp-40044",
"created_at": "2022-09-04T14:37:39.370105Z",
"updated_at": "2022-09-04T14:37:39.370128Z",
"structure_string": "Y2 Pd1 Ru1\n1.0\n0.000000 3.446587 3.446587\n3.446587 -0.000000 3.446587\n3.446587 3.446587 0.000000\nY Pd Ru\n2 1 1\ndirect\n0.499999 0.499999 0.499999 Y\n0.000000 0.000000 0.000000 Y\n0.250000 0.250000 0.250000 Pd\n0.750001 0.750001 0.750001 Ru\n",
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{
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"structure_string": "Tm2 Pd1 Ru1\n1.0\n-0.000000 3.387606 3.387606\n3.387606 -0.000000 3.387606\n3.387606 3.387606 0.000000\nTm Pd Ru\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Tm\n0.500000 0.500000 0.500000 Tm\n0.250000 0.250000 0.250000 Pd\n0.750002 0.750002 0.750002 Ru\n",
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{
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"structure_string": "Ta2 Pd3 Ru3\n1.0\n3.921784 0.000000 0.000000\n0.000000 4.018712 0.000000\n-0.000000 -0.000000 7.654007\nTa Pd Ru\n2 3 3\ndirect\n0.000000 0.000000 0.243794 Ta\n0.000000 0.000000 0.756207 Ta\n0.500000 0.500000 0.249411 Pd\n0.500000 0.500000 0.750589 Pd\n-0.000000 0.500000 0.500000 Pd\n-0.000000 0.500000 -0.000000 Ru\n0.500000 0.000000 0.500000 Ru\n0.500000 0.000000 -0.000000 Ru\n",
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