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{
"id": "jvasp-16174",
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{
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{
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"nsites": 18,
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"formula_full": "Sm3 As6 Pd9",
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"spacegroup": 12
},
{
"id": "jvasp-56450",
"created_at": "2022-09-04T14:37:31.575811Z",
"updated_at": "2022-09-04T14:37:31.575834Z",
"structure_string": "Sm1 As2 Pd2\n1.0\n3.992276 -0.000000 -1.509834\n-0.571001 3.951231 -1.509834\n0.019120 0.022081 6.083629\nSm As Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.381525 0.381524 0.763050 As\n0.618476 0.618475 0.236952 As\n0.750001 0.250000 0.500001 Pd\n0.250000 0.750000 0.500001 Pd\n",
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"volume": 96.2318235499634,
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"formula_full": "Sm1 As2 Pd2",
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"spacegroup": 139
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{
"id": "jvasp-16111",
"created_at": "2022-09-04T14:36:58.307343Z",
"updated_at": "2022-09-04T14:36:58.307351Z",
"structure_string": "Sm2 As2 Pd2\n1.0\n2.183783 -3.782424 0.000000\n2.183783 3.782424 -0.000000\n-0.000000 -0.000000 7.619302\nSm As Pd\n2 2 2\ndirect\n0.000000 0.000000 0.500158 Sm\n0.000000 0.000000 0.000158 Sm\n0.666666 0.333332 0.268518 As\n0.333332 0.666666 0.768517 As\n0.333332 0.666666 0.230723 Pd\n0.666666 0.333332 0.730723 Pd\n",
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"spacegroup": 186
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{
"id": "jvasp-75454",
"created_at": "2022-09-04T14:36:06.631377Z",
"updated_at": "2022-09-04T14:36:06.631404Z",
"structure_string": "Si1 As1 Pd2\n1.0\n-0.000000 3.178409 3.178409\n3.178409 -0.000000 3.178409\n3.178409 3.178409 0.000000\nSi As Pd\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Si\n0.500000 0.500000 0.500000 As\n0.000000 0.000000 0.000000 Pd\n0.250000 0.250000 0.250000 Pd\n",
"nsites": 4,
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"elements": [
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{
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"structure_string": "As1 Pd1 Se1\n1.0\n0.000000 3.116833 3.116833\n3.116833 0.000000 3.116833\n3.116833 3.116833 0.000000\nAs Pd Se\n1 1 1\ndirect\n0.500000 0.500000 0.500000 As\n0.250000 0.250000 0.250000 Pd\n0.000000 0.000000 0.000000 Se\n",
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},
{
"id": "jvasp-21628",
"created_at": "2022-09-04T14:38:33.170260Z",
"updated_at": "2022-09-04T14:38:33.170282Z",
"structure_string": "As4 Pd4 Se4\n1.0\n6.189231 -0.000000 -0.000000\n0.000000 6.189231 0.000000\n0.000000 0.000000 6.189231\nAs Pd Se\n4 4 4\ndirect\n0.116549 0.883450 0.383451 As\n0.883450 0.383451 0.116549 As\n0.616549 0.616549 0.616549 As\n0.383451 0.116549 0.883450 As\n0.992913 0.507087 0.492913 Pd\n0.507087 0.492913 0.992913 Pd\n0.492913 0.992913 0.507087 Pd\n0.007087 0.007087 0.007087 Pd\n0.114140 0.614140 0.885860 Se\n0.885860 0.114140 0.614140 Se\n0.614140 0.885860 0.114140 Se\n0.385860 0.385860 0.385860 Se\n",
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{
"id": "jvasp-63236",
"created_at": "2022-09-04T14:35:47.861491Z",
"updated_at": "2022-09-04T14:35:47.861529Z",
"structure_string": "Sb4 As4 Pd20\n1.0\n-0.000000 6.204188 6.204188\n6.204188 0.000000 6.204188\n6.204188 6.204188 -0.000000\nSb As Pd\n4 4 20\ndirect\n0.375000 0.875000 0.875000 Sb\n0.875000 0.875000 0.375000 Sb\n0.875000 0.375000 0.875000 Sb\n0.875000 0.875000 0.875000 Sb\n0.375000 0.875000 0.375000 As\n0.375000 0.375000 0.875000 As\n0.375000 0.375000 0.375000 As\n0.875000 0.375000 0.375000 As\n0.714137 0.714137 0.285863 Pd\n0.728463 0.090513 0.090513 Pd\n0.090513 0.090513 0.090513 Pd\n0.090513 0.728463 0.090513 Pd\n0.090513 0.090513 0.728463 Pd\n0.021537 0.659487 0.659487 Pd\n0.659487 0.659487 0.659487 Pd\n0.659487 0.659487 0.021537 Pd\n0.659487 0.021537 0.659487 Pd\n0.464137 0.035863 0.035863 Pd\n0.035863 0.464137 0.464137 Pd\n0.035863 0.035863 0.464137 Pd\n0.035863 0.464137 0.035863 Pd\n0.464137 0.035863 0.464137 Pd\n0.285863 0.714137 0.714137 Pd\n0.714137 0.285863 0.285863 Pd\n0.285863 0.714137 0.285863 Pd\n0.714137 0.285863 0.714137 Pd\n0.285863 0.285863 0.714137 Pd\n0.464137 0.464137 0.035863 Pd\n",
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{
"id": "jvasp-21627",
"created_at": "2022-09-04T14:38:32.652042Z",
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"structure_string": "As4 Pd4 S4\n1.0\n6.033766 -0.000000 0.000000\n-0.000000 6.033766 0.000000\n0.000000 0.000000 6.033766\nAs Pd S\n4 4 4\ndirect\n0.613444 0.613444 0.613444 As\n0.886557 0.386557 0.113443 As\n0.113443 0.886557 0.386557 As\n0.386557 0.113443 0.886557 As\n0.000514 0.499487 0.500514 Pd\n0.499487 0.500514 0.000514 Pd\n0.500514 0.000514 0.499487 Pd\n0.999487 0.999487 0.999487 Pd\n0.607331 0.892670 0.107330 S\n0.892670 0.107330 0.607331 S\n0.107330 0.607331 0.892670 S\n0.392670 0.392670 0.392670 S\n",
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{
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"structure_string": "As4 Pd4 S4\n1.0\n6.033861 0.000102 0.000101\n0.000101 6.033861 0.000102\n0.000102 0.000101 6.033861\nAs Pd S\n4 4 4\ndirect\n0.613427 0.613427 0.613427 As\n0.886583 0.386573 0.113433 As\n0.386573 0.113433 0.886583 As\n0.113433 0.886583 0.386573 As\n0.999489 0.999489 0.999489 Pd\n0.500514 0.000512 0.499488 Pd\n0.000512 0.499488 0.500514 Pd\n0.499488 0.500514 0.000512 Pd\n0.392652 0.392652 0.392652 S\n0.107336 0.607337 0.892652 S\n0.607337 0.892652 0.107336 S\n0.892652 0.107336 0.607337 S\n",
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{
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