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{
"id": "jvasp-32287",
"created_at": "2022-09-04T14:38:08.444204Z",
"updated_at": "2022-09-04T14:38:08.444218Z",
"structure_string": "Si6 C2 Cl16\n1.0\n7.572025 -0.018278 -3.758296\n-2.417444 8.503466 -0.851433\n0.003172 0.060791 9.023120\nSi C Cl\n6 2 16\ndirect\n0.112326 0.429837 0.604716 Si\n0.887675 0.570163 0.395284 Si\n0.691752 0.203825 0.338455 Si\n0.308249 0.796175 0.661545 Si\n0.982909 0.283890 0.216492 Si\n0.017092 0.716110 0.783508 Si\n0.909854 0.357193 0.377729 C\n0.090147 0.642807 0.622271 C\n0.095546 0.314702 0.784904 Cl\n0.904455 0.685299 0.215096 Cl\n0.716424 0.980909 0.300911 Cl\n0.356001 0.418062 0.614189 Cl\n0.467424 0.222866 0.129504 Cl\n0.532578 0.777134 0.870497 Cl\n0.627441 0.213913 0.531538 Cl\n0.372560 0.786087 0.468462 Cl\n0.100443 0.102612 0.275470 Cl\n0.899558 0.897388 0.724531 Cl\n0.762345 0.207599 0.979206 Cl\n0.237656 0.792401 0.020794 Cl\n0.169722 0.452165 0.193611 Cl\n0.830279 0.547835 0.806389 Cl\n0.644000 0.581939 0.385812 Cl\n0.283577 0.019091 0.699089 Cl\n",
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{
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"created_at": "2022-09-04T14:38:08.449872Z",
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"structure_string": "Pd2 N2\n1.0\n1.514782 -2.623679 -0.000000\n1.514782 2.623679 -0.000000\n-0.000000 0.000000 5.450454\nPd N\n2 2\ndirect\n0.000000 0.000000 0.500000 Pd\n0.000000 0.000000 0.000000 Pd\n0.333332 0.666666 0.250000 N\n0.666666 0.333332 0.749999 N\n",
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{
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"updated_at": "2022-09-04T14:38:08.465726Z",
"structure_string": "Ta2 Pd3 Ru3\n1.0\n3.921784 0.000000 0.000000\n0.000000 4.018712 0.000000\n-0.000000 -0.000000 7.654007\nTa Pd Ru\n2 3 3\ndirect\n0.000000 0.000000 0.243794 Ta\n0.000000 0.000000 0.756207 Ta\n0.500000 0.500000 0.249411 Pd\n0.500000 0.500000 0.750589 Pd\n-0.000000 0.500000 0.500000 Pd\n-0.000000 0.500000 -0.000000 Ru\n0.500000 0.000000 0.500000 Ru\n0.500000 0.000000 -0.000000 Ru\n",
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"formula_full": "Ta2 Pd3 Ru3",
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"formula_anonymous": "A2B3C3",
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"spacegroup": 47
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{
"id": "jvasp-37586",
"created_at": "2022-09-04T14:38:08.466160Z",
"updated_at": "2022-09-04T14:38:08.466195Z",
"structure_string": "Sm10 Sb6\n1.0\n9.191259 0.000048 0.000000\n-4.595590 7.959892 0.000000\n0.000000 0.000000 6.385673\nSm Sb\n10 6\ndirect\n0.248510 0.999993 0.250000 Sm\n0.751489 0.000006 0.750000 Sm\n0.999993 0.248511 0.250000 Sm\n0.751485 0.751485 0.250000 Sm\n0.248516 0.248516 0.750000 Sm\n0.000007 0.751489 0.750000 Sm\n0.333334 0.666668 -0.000000 Sm\n0.666667 0.333335 0.500000 Sm\n0.666667 0.333335 0.000000 Sm\n0.333334 0.666668 0.500000 Sm\n0.613692 0.000003 0.250000 Sb\n0.386308 -0.000002 0.750000 Sb\n0.000002 0.613691 0.250000 Sb\n0.386312 0.386313 0.250000 Sb\n0.613687 0.613688 0.750000 Sb\n-0.000002 0.386308 0.750000 Sb\n",
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{
"id": "jvasp-22896",
"created_at": "2022-09-04T14:38:08.467533Z",
"updated_at": "2022-09-04T14:38:08.467552Z",
"structure_string": "Sr2 Ni10 As6\n1.0\n3.783427 -0.000000 0.000000\n-1.891714 6.148140 -0.000000\n0.000000 0.000000 11.958670\nSr Ni As\n2 10 6\ndirect\n0.164912 0.329824 0.750000 Sr\n0.835090 0.670176 0.250000 Sr\n0.452443 0.904884 0.855187 Ni\n0.807141 0.614278 0.567074 Ni\n0.547559 0.095116 0.144813 Ni\n0.807141 0.614278 0.932926 Ni\n0.452443 0.904884 0.644813 Ni\n0.000000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.192861 0.385722 0.432926 Ni\n0.547559 0.095116 0.355187 Ni\n0.192861 0.385722 0.067074 Ni\n0.378398 0.756793 0.458966 As\n0.887479 0.774956 0.750000 As\n0.378398 0.756793 0.041034 As\n0.621604 0.243207 0.958966 As\n0.112523 0.225044 0.250000 As\n0.621604 0.243207 0.541034 As\n",
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"volume": 278.171087772624,
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{
"id": "jvasp-11470",
"created_at": "2022-09-04T14:38:08.468333Z",
"updated_at": "2022-09-04T14:38:08.468356Z",
"structure_string": "Mn4 Cd2 O8\n1.0\n5.234978 -0.000000 -2.655638\n-1.347171 5.058669 -2.655638\n-0.008668 -0.011278 6.470511\nMn Cd O\n4 2 8\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 -0.000000 0.500000 Mn\n0.000001 -0.000000 0.500001 Mn\n0.000001 0.499999 -0.000000 Mn\n0.624999 0.375000 0.250000 Cd\n0.375000 0.624999 0.749998 Cd\n0.766464 0.800573 0.532925 O\n0.767646 0.233536 0.967073 O\n0.199426 0.233536 0.967073 O\n0.233536 0.199428 0.467073 O\n0.233536 0.767645 0.467073 O\n0.232353 0.766463 0.032926 O\n0.766462 0.232354 0.532926 O\n0.800573 0.766463 0.032927 O\n",
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"spacegroup": 141
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{
"id": "jvasp-76910",
"created_at": "2022-09-04T14:38:08.471622Z",
"updated_at": "2022-09-04T14:38:08.471646Z",
"structure_string": "Sr2 Cd1 Hg1\n1.0\n-11.525511 0.000000 -6.654257\n-7.720567 0.352442 0.063900\n-6.581502 3.574205 -1.909018\nSr Cd Hg\n2 1 1\ndirect\n0.742233 -0.000001 0.000000 Sr\n0.257767 -0.000000 0.000000 Sr\n0.000000 0.000000 0.000000 Cd\n0.500000 -0.000000 0.000000 Hg\n",
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},
{
"id": "jvasp-44685",
"created_at": "2022-09-04T14:38:08.474705Z",
"updated_at": "2022-09-04T14:38:08.474725Z",
"structure_string": "Co4 Ni1 O8\n1.0\n5.641689 -0.007877 -0.063721\n-2.813496 4.918846 0.079307\n-2.769411 -1.512030 4.665766\nCo Ni O\n4 1 8\ndirect\n0.000000 0.500001 0.500001 Co\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.000000 Co\n0.000000 0.500001 0.000000 Co\n0.500000 -0.000000 0.000000 Ni\n0.535295 0.274834 0.795666 O\n0.033756 0.764271 0.787659 O\n0.518264 0.764267 0.787673 O\n0.032354 0.276862 0.787758 O\n0.967647 0.723139 0.212244 O\n0.481737 0.235734 0.212329 O\n0.966245 0.235730 0.212342 O\n0.464706 0.725167 0.204336 O\n",
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{
"id": "jvasp-32106",
"created_at": "2022-09-04T14:38:08.475243Z",
"updated_at": "2022-09-04T14:38:08.475268Z",
"structure_string": "Sb2 Te4 F12\n1.0\n5.440668 -0.027448 -0.022558\n-1.901556 7.282081 3.895261\n0.192086 -9.003222 3.859273\nSb Te F\n2 4 12\ndirect\n0.387183 0.833659 0.176463 Sb\n0.612817 0.166340 0.823536 Sb\n0.057150 0.323482 0.263503 Te\n0.162563 0.357563 0.552879 Te\n0.837437 0.642436 0.447120 Te\n0.942850 0.676518 0.736496 Te\n0.582490 0.073109 0.399390 F\n0.552547 0.357033 0.792826 F\n0.685792 0.826623 0.067332 F\n0.681226 0.974518 0.855810 F\n0.318774 0.025481 0.144189 F\n0.417510 0.926890 0.600609 F\n0.447453 0.642966 0.207173 F\n0.818794 0.389770 0.049340 F\n0.181206 0.610229 0.950660 F\n0.087798 0.854240 0.288227 F\n0.314208 0.173376 0.932667 F\n0.912202 0.145759 0.711772 F\n",
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"created_at": "2022-09-04T14:38:08.475859Z",
"updated_at": "2022-09-04T14:38:08.475887Z",
"structure_string": "Ti1 Re1\n1.0\n3.117650 0.000000 -0.000000\n0.000000 3.117650 -0.000000\n0.000000 0.000000 3.117650\nTi Re\n1 1\ndirect\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Re\n",
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{
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"created_at": "2022-09-04T14:38:08.476010Z",
"updated_at": "2022-09-04T14:38:08.476033Z",
"structure_string": "Li8 Ni1 O4 F2\n1.0\n5.186941 -0.032537 -0.022480\n-1.759166 4.997155 0.051959\n-2.386640 -0.913549 5.066458\nLi Ni O F\n8 1 4 2\ndirect\n0.187155 0.444630 0.291042 Li\n0.071782 0.200607 0.625276 Li\n0.429292 0.862197 0.634518 Li\n0.588075 0.243215 -0.047340 Li\n0.411924 0.756785 0.047341 Li\n0.570708 0.137803 0.365483 Li\n0.928217 0.799394 0.374724 Li\n0.812845 0.555370 0.708959 Li\n0.000000 0.000000 0.000000 Ni\n0.845469 0.097305 0.229761 O\n0.208966 0.806328 0.251004 O\n0.791034 0.193672 0.748997 O\n0.154531 0.902695 0.770240 O\n0.421348 0.509443 0.710534 F\n0.578652 0.490558 0.289467 F\n",
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"structure_string": "Na1 La1 Se2\n1.0\n-2.179621 -3.775214 -0.000000\n-4.359243 0.000000 -0.000000\n-2.179621 -1.258404 -6.880876\nNa La Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.499999 0.500000 0.500000 La\n0.752749 0.752751 0.741748 Se\n0.247248 0.247249 0.258253 Se\n",
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}