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{
"id": "jvasp-86195",
"created_at": "2022-09-04T14:35:54.629063Z",
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"structure_string": "Pd2 Cl4\n1.0\n3.413241 0.000000 0.000000\n0.000000 3.695189 0.000000\n0.000000 -0.000000 10.991946\nPd Cl\n2 4\ndirect\n0.500000 0.000000 0.000000 Pd\n0.000000 0.500000 0.500000 Pd\n0.000000 0.856994 0.863741 Cl\n0.500000 0.356994 0.636260 Cl\n0.000000 0.143006 0.136259 Cl\n0.500000 0.643006 0.363741 Cl\n",
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{
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"structure_string": "Pd2 Cl4\n1.0\n0.000000 3.689196 -0.087581\n3.413183 0.000000 0.000000\n0.000000 -0.259667 -11.001211\nPd Cl\n2 4\ndirect\n0.000000 0.500000 0.000000 Pd\n0.500000 0.000000 0.500000 Pd\n0.641101 0.500000 0.636347 Cl\n0.358899 0.500000 0.363653 Cl\n0.858873 0.000000 0.136350 Cl\n0.141127 0.000000 0.863650 Cl\n",
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{
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"created_at": "2022-09-04T14:36:41.626360Z",
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"structure_string": "Pd2 Au6\n1.0\n5.769502 0.000000 0.000000\n-2.884751 4.996535 0.000000\n0.000000 -0.000000 4.796500\nPd Au\n2 6\ndirect\n0.666667 0.333334 0.250000 Pd\n0.333334 0.666667 0.750000 Pd\n0.832041 0.167959 0.750000 Au\n0.335916 0.167959 0.750000 Au\n0.832042 0.664085 0.750000 Au\n0.167959 0.832042 0.250000 Au\n0.664085 0.832042 0.250000 Au\n0.167959 0.335916 0.250000 Au\n",
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"volume": 138.2711933273715,
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"formula_full": "Pd2 Au6",
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"spacegroup": 194
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{
"id": "jvasp-98653",
"created_at": "2022-09-04T14:36:02.794348Z",
"updated_at": "2022-09-04T14:36:02.794363Z",
"structure_string": "Pd2 Au4 F16\n1.0\n5.103291 0.060537 0.000000\n0.058464 5.543463 0.000000\n0.000000 0.000000 11.022166\nPd Au F\n2 4 16\ndirect\n0.500000 0.000000 0.000000 Pd\n-0.000000 0.500000 0.500000 Pd\n0.273054 0.013166 0.684784 Au\n0.773054 0.513166 0.815217 Au\n0.726944 0.986834 0.315217 Au\n0.226945 0.486834 0.184784 Au\n0.783477 0.195078 0.899209 F\n0.716522 0.304923 0.399209 F\n0.280342 0.319794 0.771256 F\n0.219657 0.180206 0.271256 F\n0.719657 0.680206 0.228744 F\n0.244605 0.176250 0.524755 F\n0.291522 0.851271 0.846236 F\n0.791523 0.351272 0.653765 F\n0.708477 0.148729 0.153764 F\n0.283477 0.695077 0.600791 F\n0.216522 0.804922 0.100791 F\n0.744604 0.676250 0.975246 F\n0.755394 0.823750 0.475245 F\n0.255395 0.323750 0.024755 F\n0.208476 0.648728 0.346236 F\n0.780342 0.819794 0.728744 F\n",
"nsites": 22,
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"elements": [
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"chemical_system": "Au-F-Pd",
"density": 6.9487909546129805,
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"volume": 311.7770171971393,
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"formula_full": "Pd2 Au4 F16",
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"formula_anonymous": "AB2C8",
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"spacegroup": 14
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{
"id": "jvasp-36840",
"created_at": "2022-09-04T14:38:05.561539Z",
"updated_at": "2022-09-04T14:38:05.561559Z",
"structure_string": "Pd2 Au2 O4\n1.0\n1.622562 -2.810361 0.000000\n1.622562 2.810361 0.000000\n0.000000 0.000000 12.123881\nPd Au O\n2 2 4\ndirect\n0.000000 0.000000 0.000000 Pd\n0.000000 0.000000 0.500000 Pd\n0.666666 0.333332 0.750000 Au\n0.333332 0.666666 0.250000 Au\n0.666666 0.333332 0.917965 O\n0.333332 0.666666 0.082035 O\n0.666666 0.333332 0.582035 O\n0.333332 0.666666 0.417965 O\n",
"nsites": 8,
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"formula_full": "Pd2 Au2 O4",
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"spacegroup": 194
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{
"id": "jvasp-36836",
"created_at": "2022-09-04T14:37:56.413231Z",
"updated_at": "2022-09-04T14:37:56.413262Z",
"structure_string": "Pd2 Au2 O4\n1.0\n1.157758 2.742943 0.731745\n5.248566 -2.713752 1.868276\n0.052644 -0.020404 -6.429530\nPd Au O\n2 2 4\ndirect\n0.000001 0.500000 -0.000000 Pd\n0.500000 0.000000 0.000000 Pd\n0.264108 0.216934 0.528214 Au\n0.735894 0.783066 0.471786 Au\n0.564087 0.721444 0.128172 O\n0.902406 0.830384 0.804810 O\n0.097595 0.169616 0.195190 O\n0.435915 0.278556 0.871828 O\n",
"nsites": 8,
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"formula_full": "Pd2 Au2 O4",
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"formula_anonymous": "ABC2",
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"spacegroup": 12
},
{
"id": "jvasp-106014",
"created_at": "2022-09-04T14:36:06.699061Z",
"updated_at": "2022-09-04T14:36:06.699090Z",
"structure_string": "Pd1 W1\n1.0\n2.673429 0.002620 4.111528\n1.221134 2.378247 4.111528\n0.004286 0.002620 4.904271\nPd W\n1 1\ndirect\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 W\n",
"nsites": 2,
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"elements": [
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"density_atomic": 0.06429106455425501,
"volume": 31.108522060825525,
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},
{
"id": "jvasp-32744",
"created_at": "2022-09-04T14:37:07.497955Z",
"updated_at": "2022-09-04T14:37:07.497983Z",
"structure_string": "Pd1 Se6 Br2\n1.0\n4.414857 0.105501 0.180360\n1.134563 6.890934 3.031716\n-0.168814 -0.043935 8.025487\nPd Se Br\n1 6 2\ndirect\n0.000000 0.000000 0.000000 Pd\n0.070110 0.520565 0.763829 Se\n0.929891 0.479434 0.236172 Se\n0.154576 0.726009 0.289143 Se\n0.180543 0.207294 0.490055 Se\n0.819458 0.792705 0.509947 Se\n0.845426 0.273989 0.710858 Se\n0.402085 0.822273 0.872015 Br\n0.597916 0.177726 0.127986 Br\n",
"nsites": 9,
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"density": 5.037434315244373,
"density_atomic": 0.03689590192479529,
"volume": 243.92952958148712,
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"formula_full": "Pd1 Se6 Br2",
"formula_reduced": "Pd(Se3Br)2",
"formula_anonymous": "AB2C6",
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"spacegroup": 2
},
{
"id": "jvasp-4080",
"created_at": "2022-09-04T14:36:46.004371Z",
"updated_at": "2022-09-04T14:36:46.004398Z",
"structure_string": "Pd1 Se2 Br6\n1.0\n4.655152 -0.134872 -0.123127\n-0.413425 7.000646 0.003691\n-1.029467 -2.515726 8.539883\nPd Se Br\n1 2 6\ndirect\n0.000000 0.500000 0.500000 Pd\n0.661365 0.260889 0.288119 Se\n0.338635 0.739111 0.711880 Se\n0.325002 0.638954 0.347786 Br\n0.674998 0.361046 0.652213 Br\n0.737853 0.306874 0.043785 Br\n0.077726 0.020439 0.714976 Br\n0.922273 -0.020439 0.285023 Br\n0.262146 0.693126 0.956214 Br\n",
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"volume": 276.85898610554307,
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"formula_full": "Pd1 Se2 Br6",
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"formula_anonymous": "AB2C6",
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{
"id": "jvasp-114371",
"created_at": "2022-09-04T14:38:41.632781Z",
"updated_at": "2022-09-04T14:38:41.632810Z",
"structure_string": "Pd1 Se1 O4\n1.0\n4.680006 0.000000 -0.152522\n0.000000 3.127583 0.000000\n-1.999063 0.000000 5.113195\nPd Se O\n1 1 4\ndirect\n0.500001 0.500000 0.000000 Pd\n0.500001 0.000000 0.500000 Se\n0.727826 0.000000 0.235590 O\n0.730186 0.500000 0.751006 O\n0.272177 0.000000 0.764410 O\n0.269817 0.500000 0.248994 O\n",
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"volume": 73.88877992159017,
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"formula_anonymous": "ABC4",
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"spacegroup": 10
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{
"id": "jvasp-114370",
"created_at": "2022-09-04T14:38:41.613451Z",
"updated_at": "2022-09-04T14:38:41.613475Z",
"structure_string": "Pd1 Se1 O1\n1.0\n6.350127 -0.000000 0.000000\n-0.000000 6.350127 0.000000\n0.000000 0.000000 4.762595\nPd Se O\n1 1 1\ndirect\n0.339551 -0.033499 0.000000 Pd\n-0.036336 0.325438 0.000000 Se\n-0.075889 -0.081514 0.000000 O\n",
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"formula_full": "Pd1 Se1 O1",
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},
{
"id": "jvasp-114799",
"created_at": "2022-09-04T14:38:43.274777Z",
"updated_at": "2022-09-04T14:38:43.274802Z",
"structure_string": "Pd1 Se1 Cl2\n1.0\n3.908511 0.000000 -0.000000\n0.000000 3.908511 0.000000\n-0.000000 0.000000 5.441690\nPd Se Cl\n1 1 2\ndirect\n0.500000 0.500000 0.502597 Pd\n0.000000 0.000000 0.002446 Se\n0.000000 0.000000 0.502422 Cl\n0.500000 0.500000 0.002533 Cl\n",
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}