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{
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{
"id": "jvasp-17189",
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"structure_string": "Ti2 Pd1\n1.0\n2.979076 0.000000 -0.902184\n-0.273217 2.966521 -0.902184\n0.017955 0.019684 5.428943\nTi Pd\n2 1\ndirect\n0.664686 0.664685 0.329373 Ti\n0.335313 0.335313 0.670628 Ti\n0.000000 0.000000 0.000000 Pd\n",
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{
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"created_at": "2022-09-04T14:37:45.866132Z",
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"structure_string": "Ti1 Pd1\n1.0\n3.167586 0.000000 0.000000\n-0.000000 3.167586 0.000000\n0.000000 0.000000 3.167586\nTi Pd\n1 1\ndirect\n0.500001 0.500001 0.500001 Ti\n0.000000 0.000000 0.000000 Pd\n",
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{
"id": "jvasp-30920",
"created_at": "2022-09-04T14:38:36.541299Z",
"updated_at": "2022-09-04T14:38:36.541326Z",
"structure_string": "Ti4 Pd6\n1.0\n4.626837 0.000000 -0.000000\n-0.000000 4.486736 -1.452788\n-0.000000 -0.035343 7.545574\nTi Pd\n4 6\ndirect\n0.750000 0.336380 0.215735 Ti\n0.250000 0.663622 0.784265 Ti\n0.750000 0.120645 0.784265 Ti\n0.250000 0.879356 0.215735 Ti\n0.250000 0.087616 0.610951 Pd\n0.750000 0.912385 0.389048 Pd\n0.750000 0.523337 0.610951 Pd\n0.250000 0.476665 0.389048 Pd\n0.750000 0.706044 -0.000000 Pd\n0.250000 0.293957 -0.000000 Pd\n",
"nsites": 10,
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"density": 8.811971439046783,
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"volume": 156.40399067819578,
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"formula_full": "Ti4 Pd6",
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"formula_anonymous": "A2B3",
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"spacegroup": 63
},
{
"id": "jvasp-86294",
"created_at": "2022-09-04T14:36:20.987500Z",
"updated_at": "2022-09-04T14:36:20.987523Z",
"structure_string": "Th4 Pd12\n1.0\n5.931213 0.000000 -0.000000\n-2.965606 5.136581 0.000000\n0.000000 0.000000 9.933872\nTh Pd\n4 12\ndirect\n0.000000 0.000000 0.500000 Th\n0.666666 0.333333 0.750000 Th\n0.333332 0.666667 0.250000 Th\n0.000000 0.000000 0.000000 Th\n0.174447 0.825552 0.750000 Pd\n0.651103 0.825552 0.750000 Pd\n-0.000000 0.500000 0.000000 Pd\n0.499999 0.500000 0.000000 Pd\n0.825551 0.651103 0.250000 Pd\n0.348896 0.174448 0.250000 Pd\n0.174447 0.348896 0.750000 Pd\n0.499999 0.500000 0.500000 Pd\n0.500000 -0.000000 0.500000 Pd\n0.825552 0.174448 0.250000 Pd\n0.500000 -0.000000 0.000000 Pd\n-0.000000 0.500000 0.500000 Pd\n",
"nsites": 16,
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"elements": [
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"density": 12.099274552992147,
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"volume": 302.6468940633799,
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"formula_full": "Th4 Pd12",
"formula_reduced": "ThPd3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.8486381750000005,
"spacegroup": 194
},
{
"id": "jvasp-86897",
"created_at": "2022-09-04T14:35:41.391400Z",
"updated_at": "2022-09-04T14:35:41.391422Z",
"structure_string": "Th4 Pd12\n1.0\n5.931223 0.000000 0.000000\n-2.965611 5.136590 0.000000\n-0.000000 0.000000 9.934022\nTh Pd\n4 12\ndirect\n0.000000 0.000000 0.500000 Th\n0.666667 0.333333 0.750000 Th\n0.333333 0.666667 0.250000 Th\n0.000000 0.000000 0.000000 Th\n0.174446 0.825554 0.750000 Pd\n0.651107 0.825554 0.750000 Pd\n0.000000 0.500000 0.000000 Pd\n0.500000 0.500000 0.000000 Pd\n0.825554 0.651107 0.250000 Pd\n0.348893 0.174446 0.250000 Pd\n0.174446 0.348893 0.750000 Pd\n0.500000 0.500000 0.500000 Pd\n0.500000 -0.000000 0.500000 Pd\n0.825554 0.174446 0.250000 Pd\n0.500000 -0.000000 0.000000 Pd\n0.000000 0.500000 0.500000 Pd\n",
"nsites": 16,
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"elements": [
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"density": 12.09905026030019,
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"volume": 302.6525045439649,
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"formula_full": "Th4 Pd12",
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"spacegroup": 194
},
{
"id": "jvasp-18775",
"created_at": "2022-09-04T14:36:36.490922Z",
"updated_at": "2022-09-04T14:36:36.490959Z",
"structure_string": "Th4 Pd4\n1.0\n4.572434 0.000000 0.000000\n0.000000 5.889743 0.000000\n0.000000 0.000000 7.342872\nTh Pd\n4 4\ndirect\n0.250000 0.140204 0.179295 Th\n0.749999 0.859796 0.820705 Th\n0.749999 0.640203 0.320705 Th\n0.250000 0.359796 0.679295 Th\n0.250000 0.649924 0.047021 Pd\n0.749999 0.350076 0.952979 Pd\n0.749999 0.149924 0.452979 Pd\n0.250000 0.850075 0.547021 Pd\n",
"nsites": 8,
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"elements": [
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"density": 11.368527109611968,
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"volume": 197.746929084758,
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"formula_full": "Th4 Pd4",
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"spacegroup": 62
},
{
"id": "jvasp-20097",
"created_at": "2022-09-04T14:36:09.588877Z",
"updated_at": "2022-09-04T14:36:09.588907Z",
"structure_string": "Th4 Pd2\n1.0\n5.188549 0.000000 2.968122\n2.594275 5.205585 1.484060\n0.009457 -0.000000 6.002559\nTh Pd\n4 2\ndirect\n0.162257 0.500000 0.175486 Th\n0.337745 0.824514 0.499999 Th\n0.662257 0.175487 0.500000 Th\n0.837745 0.500000 0.824513 Th\n0.250000 -0.000000 -0.000000 Pd\n0.750000 -0.000000 -0.000000 Pd\n",
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"volume": 161.97959589259887,
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"formula_full": "Th4 Pd2",
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"spacegroup": 140
},
{
"id": "jvasp-93615",
"created_at": "2022-09-04T14:36:31.207251Z",
"updated_at": "2022-09-04T14:36:31.207280Z",
"structure_string": "Th4 Pd2\n1.0\n0.000000 0.000000 -5.977778\n-3.680842 3.680842 -2.988889\n3.680842 3.680842 -2.988889\nTh Pd\n4 2\ndirect\n0.337759 0.500000 0.824483 Th\n0.662242 0.500000 0.175516 Th\n0.837759 0.824483 0.500000 Th\n0.162242 0.175516 0.500000 Th\n0.750000 0.000000 0.000000 Pd\n0.250000 0.000000 0.000000 Pd\n",
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},
{
"id": "jvasp-91851",
"created_at": "2022-09-04T14:37:51.549936Z",
"updated_at": "2022-09-04T14:37:51.549957Z",
"structure_string": "Th3 Pd5\n1.0\n7.708866 -0.000000 0.000000\n-3.854433 6.676074 0.000000\n-0.000000 0.000000 3.460506\nTh Pd\n3 5\ndirect\n0.728604 0.000000 0.000000 Th\n0.271396 0.271396 0.000000 Th\n0.000000 0.728603 0.000000 Th\n0.333333 0.666667 0.000000 Pd\n0.666667 0.333333 0.000000 Pd\n0.363811 0.000000 0.500001 Pd\n0.636189 0.636188 0.500001 Pd\n0.000000 0.363811 0.500001 Pd\n",
"nsites": 8,
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},
{
"id": "jvasp-263",
"created_at": "2022-09-04T14:37:42.986606Z",
"updated_at": "2022-09-04T14:37:42.986627Z",
"structure_string": "Te2 Pd1\n1.0\n2.045730 -3.543308 0.000000\n2.045730 3.543308 0.000000\n0.000000 0.000000 5.253501\nTe Pd\n2 1\ndirect\n0.333333 0.666667 0.735409 Te\n0.666667 0.333333 0.264591 Te\n0.000000 0.000000 0.000000 Pd\n",
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},
{
"id": "jvasp-14784",
"created_at": "2022-09-04T14:38:06.655897Z",
"updated_at": "2022-09-04T14:38:06.655919Z",
"structure_string": "Te2 Pd2\n1.0\n2.107070 -3.649553 -0.000000\n2.107070 3.649553 0.000000\n-0.000000 -0.000000 5.769799\nTe Pd\n2 2\ndirect\n0.333333 0.666667 0.250000 Te\n0.666667 0.333333 0.750000 Te\n0.000000 0.000000 0.000000 Pd\n0.000000 0.000000 0.500000 Pd\n",
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{
"id": "jvasp-59080",
"created_at": "2022-09-04T14:38:36.137118Z",
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"structure_string": "Te6 Pd20\n1.0\n7.733847 0.000000 4.465138\n2.577949 7.291540 4.465138\n0.000000 0.000000 8.930277\nTe Pd\n6 20\ndirect\n0.625000 0.125000 0.625000 Te\n0.625000 0.625000 0.125000 Te\n0.625000 0.625000 0.625000 Te\n0.250000 0.250000 0.250000 Te\n0.000000 0.000000 0.000000 Te\n0.125000 0.625000 0.625000 Te\n0.507529 0.992472 0.507529 Pd\n0.992472 0.507528 0.992472 Pd\n0.992472 0.507528 0.507529 Pd\n0.507529 0.507528 0.992472 Pd\n0.992472 0.992472 0.507529 Pd\n0.507529 0.992472 0.992472 Pd\n0.742472 0.257528 0.742472 Pd\n0.365933 0.365932 0.365933 Pd\n0.742472 0.742472 0.257529 Pd\n0.257529 0.257528 0.742472 Pd\n0.742472 0.257528 0.257529 Pd\n0.884068 0.347796 0.884068 Pd\n0.347796 0.884068 0.884068 Pd\n0.884068 0.884068 0.347796 Pd\n0.884068 0.884068 0.884068 Pd\n0.365933 0.902204 0.365933 Pd\n0.902204 0.365932 0.365933 Pd\n0.365933 0.365932 0.902204 Pd\n0.257529 0.742472 0.742472 Pd\n0.257529 0.742472 0.257529 Pd\n",
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}