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{
"id": "jvasp-105987",
"created_at": "2022-09-04T14:36:14.086995Z",
"updated_at": "2022-09-04T14:36:14.087017Z",
"structure_string": "Ta1 Pd1\n1.0\n2.746032 0.001267 4.113824\n1.247821 2.446149 4.113824\n0.002067 0.001267 4.946134\nTa Pd\n1 1\ndirect\n0.499999 0.500002 0.499998 Ta\n0.000000 0.000000 0.000000 Pd\n",
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{
"id": "jvasp-37076",
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{
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"structure_string": "Ta1 Pd3\n1.0\n3.595766 -0.000000 -1.572635\n-0.687805 3.529369 -1.572639\n-0.002084 -0.002536 4.892340\nTa Pd\n1 3\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 -0.000001 Pd\n0.250000 0.750000 0.499999 Pd\n0.750001 0.249999 0.499999 Pd\n",
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{
"id": "jvasp-18773",
"created_at": "2022-09-04T14:36:59.423555Z",
"updated_at": "2022-09-04T14:36:59.423578Z",
"structure_string": "Ta1 Pd2\n1.0\n2.753289 -0.000000 -0.865493\n-0.479372 3.541669 -1.524968\n0.021593 -0.027098 4.880792\nTa Pd\n1 2\ndirect\n0.000000 0.000000 0.000000 Ta\n0.334913 0.334914 0.669829 Pd\n0.665086 0.665086 0.330171 Pd\n",
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},
{
"id": "jvasp-116580",
"created_at": "2022-09-04T14:38:42.283170Z",
"updated_at": "2022-09-04T14:38:42.283193Z",
"structure_string": "Y2 Pd6 S8\n1.0\n6.700997 -0.000000 0.000000\n0.000000 6.700997 0.000000\n-0.000000 -0.000000 6.700997\nY Pd S\n2 6 8\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Y\n0.250000 0.000000 0.500000 Pd\n0.750000 0.000000 0.500000 Pd\n0.500000 0.250000 -0.000000 Pd\n0.500000 0.750000 -0.000000 Pd\n-0.000000 0.500000 0.250000 Pd\n-0.000000 0.500000 0.750000 Pd\n0.250000 0.250000 0.250000 S\n0.750000 0.750000 0.750000 S\n0.750000 0.750000 0.250000 S\n0.750000 0.250000 0.750000 S\n0.250000 0.250000 0.750000 S\n0.250000 0.750000 0.250000 S\n0.250000 0.750000 0.750000 S\n0.750000 0.250000 0.250000 S\n",
"nsites": 16,
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"elements": [
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{
"id": "jvasp-59749",
"created_at": "2022-09-04T14:38:34.031133Z",
"updated_at": "2022-09-04T14:38:34.031158Z",
"structure_string": "U2 Pd4 S8\n1.0\n6.056830 -0.000001 -2.994200\n-1.480186 5.873179 -2.994201\n0.006381 0.008188 7.636047\nU Pd S\n2 4 8\ndirect\n0.375000 0.125000 0.750000 U\n0.624999 0.875000 0.250000 U\n-0.000000 0.500000 -0.000000 Pd\n0.500000 0.500000 0.500000 Pd\n-0.000000 0.500000 0.500000 Pd\n0.000000 0.000000 0.000000 Pd\n0.233855 0.528572 0.855044 S\n0.326472 0.733856 0.355044 S\n0.028571 0.121188 0.355044 S\n0.621188 0.826473 0.855044 S\n0.766144 0.471429 0.144956 S\n0.673527 0.266145 0.644957 S\n0.378812 0.173528 0.144956 S\n0.971428 0.878812 0.644957 S\n",
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"formula_full": "U2 Pd4 S8",
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{
"id": "jvasp-21044",
"created_at": "2022-09-04T14:38:29.278119Z",
"updated_at": "2022-09-04T14:38:29.278183Z",
"structure_string": "U4 Pd2 S8\n1.0\n6.358517 -0.026152 -2.216259\n-2.532367 5.832542 -2.216259\n0.036270 0.055042 7.774085\nU Pd S\n4 2 8\ndirect\n0.526437 0.128187 0.945869 U\n0.182318 0.580567 0.054130 U\n0.378188 0.276436 0.445869 U\n0.830567 0.932318 0.554129 U\n0.254359 0.754359 0.499999 Pd\n0.004359 0.004359 -0.000000 Pd\n0.556007 0.495356 0.253990 S\n0.241365 0.302016 0.746009 S\n0.745356 0.306007 0.753990 S\n0.552016 0.991365 0.246009 S\n0.587552 0.745254 0.725694 S\n0.019560 0.861858 0.274305 S\n0.111858 0.769560 0.774305 S\n0.995255 0.337553 0.225694 S\n",
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"spacegroup": 43
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{
"id": "jvasp-94860",
"created_at": "2022-09-04T14:36:32.217566Z",
"updated_at": "2022-09-04T14:36:32.217594Z",
"structure_string": "Tl2 Pd3 S2\n1.0\n5.109617 -0.005178 2.880149\n1.680327 4.825424 2.880149\n-0.007294 -0.005178 5.865441\nTl Pd S\n2 3 2\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500001 0.499999 0.500000 Tl\n0.000000 -0.000000 0.500000 Pd\n0.000000 0.500000 0.000000 Pd\n0.500000 -0.000000 0.000000 Pd\n0.719671 0.719669 0.719670 S\n0.280331 0.280330 0.280330 S\n",
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"elements": [
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"formula_full": "Tl2 Pd3 S2",
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"formula_anonymous": "A2B2C3",
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"spacegroup": 166
},
{
"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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"formula_full": "Ta2 Pd1 S6",
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"spacegroup": 12
},
{
"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",
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"volume": 251.0246206330269,
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"spacegroup": 19
},
{
"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",
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"formula_full": "Sb1 Pd6 S1",
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{
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"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",
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}