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{
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{
"id": "jvasp-40800",
"created_at": "2022-09-04T14:37:53.378478Z",
"updated_at": "2022-09-04T14:37:53.378500Z",
"structure_string": "Zr1 Sn1 Pd1\n1.0\n3.909916 0.000000 2.257391\n1.303304 3.686304 2.257392\n0.000000 0.000001 4.514783\nZr Sn Pd\n1 1 1\ndirect\n0.500000 0.499999 0.500000 Zr\n0.000000 0.000000 0.000000 Sn\n0.250000 0.250000 0.250000 Pd\n",
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{
"id": "jvasp-8545",
"created_at": "2022-09-04T14:36:42.866687Z",
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"structure_string": "Zr1 Sn1 Pd1\n1.0\n3.973568 -0.000000 2.294140\n1.324523 3.746316 2.294140\n0.000000 0.000000 4.588281\nZr Sn Pd\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 Sn\n0.500000 0.500001 0.500000 Pd\n",
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{
"id": "jvasp-38876",
"created_at": "2022-09-04T14:37:54.965264Z",
"updated_at": "2022-09-04T14:37:54.965290Z",
"structure_string": "Zr1 Sn1 Pd2\n1.0\n-0.000000 3.318071 3.318071\n3.318071 -0.000000 3.318071\n3.318071 3.318071 -0.000000\nZr Sn Pd\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Zr\n0.250000 0.250000 0.250000 Sn\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 Pd\n",
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"volume": 73.06123685118096,
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"formula_full": "Zr1 Sn1 Pd2",
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"spacegroup": 225
},
{
"id": "jvasp-19645",
"created_at": "2022-09-04T14:38:31.736330Z",
"updated_at": "2022-09-04T14:38:31.736362Z",
"structure_string": "Sr1 Pd5\n1.0\n2.720673 -4.712344 0.000000\n2.720673 4.712344 0.000000\n0.000000 0.000000 4.426860\nSr Pd\n1 5\ndirect\n0.000000 0.000000 0.000000 Sr\n0.666666 0.333333 0.000000 Pd\n0.499999 0.499999 0.500000 Pd\n0.500000 -0.000000 0.500000 Pd\n-0.000000 0.500000 0.500000 Pd\n0.333333 0.666666 0.000000 Pd\n",
"nsites": 6,
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"elements": [
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],
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"density": 9.065786630035399,
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"volume": 113.51130490364673,
"volume_molar": 11.393017599683981,
"formula_full": "Sr1 Pd5",
"formula_reduced": "SrPd5",
"formula_anonymous": "AB5",
"energy_above_hull": 1.3671091350000002,
"spacegroup": 191
},
{
"id": "jvasp-101609",
"created_at": "2022-09-04T14:36:37.955602Z",
"updated_at": "2022-09-04T14:36:37.955628Z",
"structure_string": "Sr2 Pd6\n1.0\n6.203187 0.000000 0.000000\n-3.101594 5.372117 0.000000\n-0.000000 -0.000000 4.704661\nSr Pd\n2 6\ndirect\n0.333334 0.666667 0.750000 Sr\n0.666667 0.333334 0.250000 Sr\n0.150837 0.301674 0.250000 Pd\n0.698327 0.849163 0.250000 Pd\n0.150838 0.849163 0.250000 Pd\n0.849164 0.698326 0.750000 Pd\n0.301675 0.150837 0.750000 Pd\n0.849163 0.150837 0.750000 Pd\n",
"nsites": 8,
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"elements": [
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"density": 8.618997693925126,
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"volume": 156.77928209550748,
"volume_molar": 11.801836312886174,
"formula_full": "Sr2 Pd6",
"formula_reduced": "SrPd3",
"formula_anonymous": "AB3",
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"spacegroup": 194
},
{
"id": "jvasp-37084",
"created_at": "2022-09-04T14:38:03.297681Z",
"updated_at": "2022-09-04T14:38:03.297711Z",
"structure_string": "Sr2 Pd2\n1.0\n-4.213818 0.000000 -0.000000\n0.000000 0.000000 -4.540151\n-2.106910 -5.655763 0.000000\nSr Pd\n2 2\ndirect\n0.138942 0.750000 0.722117 Sr\n0.861059 0.250000 0.277882 Sr\n0.425057 0.750000 0.149888 Pd\n0.574944 0.250000 0.850112 Pd\n",
"nsites": 4,
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"elements": [
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],
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"density": 5.9557037313820365,
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"volume": 108.20249462217426,
"volume_molar": 16.29026632994691,
"formula_full": "Sr2 Pd2",
"formula_reduced": "SrPd",
"formula_anonymous": "AB",
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"spacegroup": 63
},
{
"id": "jvasp-19757",
"created_at": "2022-09-04T14:38:29.123050Z",
"updated_at": "2022-09-04T14:38:29.123082Z",
"structure_string": "Sr2 Pd4\n1.0\n4.835411 0.000000 2.791726\n1.611804 4.558869 2.791726\n0.000000 -0.000000 5.583452\nSr Pd\n2 4\ndirect\n0.125000 0.125000 0.125000 Sr\n0.874999 0.875000 0.875001 Sr\n-0.000000 0.500000 0.500000 Pd\n0.500000 0.000000 0.500000 Pd\n0.499999 0.500000 0.000001 Pd\n0.499999 0.500000 0.500001 Pd\n",
"nsites": 6,
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"elements": [
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],
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"density": 8.107229404900666,
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"volume": 123.08164553701788,
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"formula_full": "Sr2 Pd4",
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"formula_anonymous": "AB2",
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"spacegroup": 227
},
{
"id": "jvasp-40778",
"created_at": "2022-09-04T14:37:49.018517Z",
"updated_at": "2022-09-04T14:37:49.018541Z",
"structure_string": "Sr1 Te1 Pd1\n1.0\n4.228954 -0.000000 2.441588\n1.409652 3.987096 2.441588\n0.000000 0.000000 4.883177\nSr Te Pd\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.499999 0.500000 0.500001 Te\n0.250000 0.250000 0.250001 Pd\n",
"nsites": 3,
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"elements": [
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"Te",
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],
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"density": 6.486748061925762,
"density_atomic": 0.03643586921751697,
"volume": 82.3364465958099,
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"formula_full": "Sr1 Te1 Pd1",
"formula_reduced": "SrTePd",
"formula_anonymous": "ABC",
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"spacegroup": 216
},
{
"id": "jvasp-91588",
"created_at": "2022-09-04T14:35:54.795002Z",
"updated_at": "2022-09-04T14:35:54.795027Z",
"structure_string": "Sr2 Tl4 Pd2\n1.0\n4.411159 0.000000 -0.000000\n-2.205579 5.607978 -0.000000\n-0.000000 -0.000000 8.493161\nSr Tl Pd\n2 4 2\ndirect\n0.434560 0.869119 0.750000 Sr\n0.565440 0.130882 0.250000 Sr\n0.144567 0.289135 0.950244 Tl\n0.855433 0.710865 0.049756 Tl\n0.144567 0.289135 0.549756 Tl\n0.855433 0.710865 0.450244 Tl\n0.280036 0.560073 0.250000 Pd\n0.719964 0.439928 0.750000 Pd\n",
"nsites": 8,
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"elements": [
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],
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"density": 9.5285917813771,
"density_atomic": 0.03807690292167486,
"volume": 210.10112131378438,
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"formula_full": "Sr2 Tl4 Pd2",
"formula_reduced": "SrTl2Pd",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-106337",
"created_at": "2022-09-04T14:38:40.151389Z",
"updated_at": "2022-09-04T14:38:40.151426Z",
"structure_string": "Sb1 Pd6 S1\n1.0\n4.322758 -0.008208 6.342803\n1.949814 3.858048 6.342803\n-0.013373 -0.008208 7.675754\nSb Pd S\n1 6 1\ndirect\n0.500000 0.500000 0.499999 Sb\n0.630778 0.630777 0.630776 Pd\n0.115858 0.115858 0.115858 Pd\n0.884142 0.884141 0.884141 Pd\n0.369223 0.369222 0.369222 Pd\n0.243381 0.243381 0.243380 Pd\n0.756620 0.756619 0.756618 Pd\n0.000000 0.000000 0.000000 S\n",
"nsites": 8,
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"elements": [
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],
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"density": 10.232216166157896,
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"volume": 128.58600769956348,
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"formula_full": "Sb1 Pd6 S1",
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"formula_anonymous": "ABC6",
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"spacegroup": 166
},
{
"id": "jvasp-116662",
"created_at": "2022-09-04T14:38:44.065787Z",
"updated_at": "2022-09-04T14:38:44.065808Z",
"structure_string": "Pd4 Se4 S4\n1.0\n5.699713 -0.000000 0.000000\n0.000000 5.804854 0.000000\n-0.000000 0.000000 7.587034\nPd Se S\n4 4 4\ndirect\n0.517831 0.992220 0.500877 Pd\n0.017831 0.507779 0.499122 Pd\n0.482168 0.492220 -0.000878 Pd\n0.982168 0.007780 0.000878 Pd\n0.378737 0.886303 0.903274 Se\n0.878736 0.613696 0.096726 Se\n0.621263 0.386304 0.596726 Se\n0.121263 0.113696 0.403274 Se\n0.596331 0.116284 0.084576 S\n0.096331 0.383716 0.915424 S\n0.403669 0.616284 0.415424 S\n0.903669 0.883715 0.584576 S\n",
"nsites": 12,
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"elements": [
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],
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"density": 5.753633510948619,
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"volume": 251.0246206330269,
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"formula_full": "Pd4 Se4 S4",
"formula_reduced": "PdSeS",
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"spacegroup": 19
},
{
"id": "jvasp-14166",
"created_at": "2022-09-04T14:36:19.141472Z",
"updated_at": "2022-09-04T14:36:19.141491Z",
"structure_string": "Ta2 Pd1 S6\n1.0\n3.237939 0.000000 0.580668\n1.438471 5.898630 1.296836\n-0.004326 0.015424 9.342205\nTa Pd S\n2 1 6\ndirect\n0.684418 0.924635 0.706528 Ta\n0.315581 0.075365 0.293473 Ta\n0.000000 0.000000 0.000000 Pd\n0.340013 0.779853 0.540120 S\n0.987748 0.783771 0.240734 S\n0.012251 0.216228 0.759267 S\n0.659986 0.220146 0.459882 S\n0.218132 0.692169 0.871566 S\n0.781867 0.307830 0.128435 S\n",
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],
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"volume": 178.39348260177752,
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"formula_full": "Ta2 Pd1 S6",
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