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{
"id": "jvasp-10315",
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"structure_string": "Ti2 Ge4 O12\n1.0\n5.438693 0.059982 1.284793\n1.503234 6.527871 0.765067\n0.163663 0.002784 6.740278\nTi Ge O\n2 4 12\ndirect\n0.749999 0.898650 0.101350 Ti\n0.249999 0.101349 0.898650 Ti\n0.753413 0.380645 0.207601 Ge\n0.746585 0.792399 0.619355 Ge\n0.246585 0.619354 0.792400 Ge\n0.253413 0.207600 0.380645 Ge\n0.626672 0.962901 0.825076 O\n0.873326 0.174925 0.037099 O\n0.746536 0.628949 0.086552 O\n0.753462 0.913447 0.371052 O\n0.253463 0.371051 0.913448 O\n0.565604 0.605120 0.663771 O\n-0.065605 0.336229 0.394880 O\n0.126672 0.825074 0.962902 O\n0.065604 0.663770 0.605121 O\n0.434394 0.394880 0.336230 O\n0.246536 0.086552 0.628949 O\n0.373326 0.037098 0.174925 O\n",
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{
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"created_at": "2022-09-04T14:37:51.521150Z",
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"structure_string": "Ti1 Ge1 Pt1\n1.0\n3.690958 0.000000 2.130975\n1.230320 3.479868 2.130975\n-0.000000 0.000000 4.261950\nTi Ge Pt\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Ti\n0.000000 0.000000 0.000000 Ge\n0.500000 0.500000 0.500001 Pt\n",
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"volume": 54.74068454983286,
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"spacegroup": 216
},
{
"id": "jvasp-36223",
"created_at": "2022-09-04T14:37:12.817242Z",
"updated_at": "2022-09-04T14:37:12.817263Z",
"structure_string": "Ti1 Ge1 Pt1\n1.0\n2.993072 2.993072 0.000000\n2.993072 -0.000000 -2.993072\n-0.000000 2.993072 -2.993072\nTi Ge Pt\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Ge\n0.750000 0.750000 0.750000 Pt\n",
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{
"id": "jvasp-103634",
"created_at": "2022-09-04T14:36:46.498245Z",
"updated_at": "2022-09-04T14:36:46.498270Z",
"structure_string": "Ti1 Ge1 Rh2\n1.0\n3.765638 -0.000000 2.174092\n1.255213 3.550278 2.174092\n-0.000000 -0.000000 4.348184\nTi Ge Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.499999 Ge\n0.250000 0.250000 0.249999 Rh\n0.750000 0.750000 0.749998 Rh\n",
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{
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"created_at": "2022-09-04T14:37:45.583789Z",
"updated_at": "2022-09-04T14:37:45.583798Z",
"structure_string": "Ti1 Ge1 Ru2\n1.0\n0.000011 3.042402 3.042390\n3.042399 0.000009 3.042392\n3.042386 3.042391 0.000022\nTi Ge Ru\n1 1 2\ndirect\n0.750003 0.750002 0.750003 Ti\n0.250003 0.250003 0.249994 Ge\n-0.000005 0.000001 0.000002 Ru\n0.499997 0.499997 0.500005 Ru\n",
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{
"id": "jvasp-117118",
"created_at": "2022-09-04T14:38:47.994439Z",
"updated_at": "2022-09-04T14:38:47.994467Z",
"structure_string": "Ti4 Ge4 S12\n1.0\n3.491169 -0.000000 0.000000\n0.000000 9.029578 0.000000\n-0.000000 -0.000000 13.261621\nTi Ge S\n4 4 12\ndirect\n0.750000 0.346551 0.954294 Ti\n0.750000 0.846551 0.545706 Ti\n0.250000 0.653449 0.045706 Ti\n0.250000 0.153449 0.454294 Ti\n0.250000 0.068069 0.839705 Ge\n0.250000 0.568069 0.660295 Ge\n0.750000 0.931932 0.160295 Ge\n0.750000 0.431932 0.339705 Ge\n0.250000 0.678047 0.487887 S\n0.250000 0.178047 0.012113 S\n0.250000 0.264405 0.286168 S\n0.250000 0.764405 0.213832 S\n0.750000 0.735596 0.713832 S\n0.250000 0.013350 0.609198 S\n0.750000 0.986650 0.390802 S\n0.750000 0.486650 0.109198 S\n0.750000 0.821953 0.987887 S\n0.250000 0.513351 0.890802 S\n0.750000 0.235596 0.786168 S\n0.750000 0.321953 0.512113 S\n",
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"formula_full": "Ti4 Ge4 S12",
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{
"id": "jvasp-93769",
"created_at": "2022-09-04T14:36:13.433853Z",
"updated_at": "2022-09-04T14:36:13.433878Z",
"structure_string": "Ti2 Ge2 Sb2\n1.0\n3.738610 0.000000 0.000000\n-0.000000 3.738610 0.000000\n0.000000 0.000000 8.262790\nTi Ge Sb\n2 2 2\ndirect\n0.750000 0.750000 0.752275 Ti\n0.250000 0.250000 0.247725 Ti\n0.750000 0.250000 0.000000 Ge\n0.250000 0.750000 0.000000 Ge\n0.750000 0.750000 0.381407 Sb\n0.250000 0.250000 0.618593 Sb\n",
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"formula_full": "Ti2 Ge2 Sb2",
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{
"id": "jvasp-85305",
"created_at": "2022-09-04T14:36:08.151289Z",
"updated_at": "2022-09-04T14:36:08.151315Z",
"structure_string": "Ti2 Ge2 Te12\n1.0\n3.917926 0.000098 0.449260\n1.839605 7.085584 1.261603\n-0.022454 0.012332 17.501463\nTi Ge Te\n2 2 12\ndirect\n0.736587 0.785999 0.740782 Ti\n0.263416 0.214001 0.259218 Ti\n0.280187 0.033483 0.406368 Ge\n0.719816 0.966517 0.593632 Ge\n0.914143 0.917063 0.254655 Te\n0.155326 0.706910 0.982446 Te\n0.411077 0.061856 0.115991 Te\n0.627132 0.400465 0.345373 Te\n0.085861 0.082936 0.745345 Te\n0.588927 0.938144 0.884009 Te\n0.844678 0.293090 0.017554 Te\n0.122537 0.218415 0.536437 Te\n0.877467 0.781584 0.463563 Te\n0.317899 0.543316 0.820801 Te\n0.682104 0.456683 0.179199 Te\n0.372872 0.599534 0.654627 Te\n",
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{
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"structure_string": "Ti6 H6 Au2\n1.0\n5.288407 -0.000000 0.000000\n0.000000 5.288407 0.000000\n0.000000 -0.000000 5.288407\nTi H Au\n6 6 2\ndirect\n-0.000000 0.500000 0.750000 Ti\n0.500000 0.250000 -0.000000 Ti\n0.750000 0.000000 0.500000 Ti\n-0.000000 0.500000 0.250000 Ti\n0.500000 0.750000 -0.000000 Ti\n0.250000 0.000000 0.500000 Ti\n0.500000 0.000000 0.750000 H\n-0.000000 0.250000 0.500000 H\n0.750000 0.500000 -0.000000 H\n0.500000 0.000000 0.250000 H\n-0.000000 0.750000 0.500000 H\n0.250000 0.500000 -0.000000 H\n0.500000 0.500000 0.500000 Au\n0.000000 0.000000 0.000000 Au\n",
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{
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"created_at": "2022-09-04T14:36:39.941812Z",
"updated_at": "2022-09-04T14:36:39.941827Z",
"structure_string": "Ti2 H1 C1\n1.0\n2.953065 -0.002467 4.189695\n1.326353 2.638445 4.189695\n-0.004005 -0.002467 5.125829\nTi H C\n2 1 1\ndirect\n0.244182 0.244180 0.244183 Ti\n0.755819 0.755816 0.755822 Ti\n0.000000 0.000000 0.000000 H\n0.500000 0.499998 0.500002 C\n",
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{
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"structure_string": "Ti6 H4 O14\n1.0\n7.930088 1.878857 -1.642714\n-7.930088 1.878857 1.642714\n-0.043171 0.000000 9.271685\nTi H O\n6 4 14\ndirect\n0.768831 0.231170 0.785133 Ti\n0.232464 0.767538 0.212404 Ti\n0.824183 0.175818 0.486635 Ti\n0.167426 0.832575 0.522295 Ti\n0.880953 0.119048 0.168319 Ti\n0.117018 0.882983 0.826571 Ti\n0.072332 0.927670 0.242424 H\n0.980838 0.019163 0.469668 H\n-0.000174 0.000174 0.035203 H\n0.954548 0.045454 0.792642 H\n0.291748 0.708254 0.454520 O\n0.703744 0.296257 0.541906 O\n0.352032 0.647969 0.181894 O\n0.649294 0.350707 0.817379 O\n0.010938 0.989063 0.863615 O\n0.990820 0.009182 0.140704 O\n0.173165 0.826836 0.030752 O\n0.923268 0.076733 0.403821 O\n0.132883 0.867119 0.310888 O\n0.862951 0.137050 0.683694 O\n0.763407 0.236594 0.253479 O\n0.829631 0.170371 0.968635 O\n0.076298 0.923704 0.599458 O\n0.237990 0.762012 0.742676 O\n",
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