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{
"id": "jvasp-30404",
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"structure_string": "Ti2 Ge2 O6\n1.0\n7.044580 0.738110 0.499128\n4.774487 5.232131 0.499129\n4.774487 2.411767 4.669872\nTi Ge O\n2 2 6\ndirect\n0.162122 0.162122 0.162122 Ti\n0.837878 0.837878 0.837878 Ti\n0.393945 0.393944 0.393945 Ge\n0.606056 0.606056 0.606056 Ge\n0.102503 0.786806 0.445451 O\n0.445451 0.102503 0.786806 O\n0.786806 0.445450 0.102503 O\n0.213194 0.554550 0.897497 O\n0.554550 0.897497 0.213194 O\n0.897498 0.213194 0.554550 O\n",
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{
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"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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{
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"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",
"nsites": 16,
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"formula_full": "Ti2 Ge2 Te12",
"formula_reduced": "TiGeTe6",
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"spacegroup": 12
},
{
"id": "jvasp-93952",
"created_at": "2022-09-04T14:36:12.696426Z",
"updated_at": "2022-09-04T14:36:12.696458Z",
"structure_string": "Ti2 Ge4\n1.0\n4.929906 -0.020213 -1.258881\n-2.917125 3.974262 -1.258881\n-0.031823 -0.062514 5.044648\nTi Ge\n2 4\ndirect\n0.875001 0.125001 0.250001 Ti\n0.125000 0.875000 0.750001 Ti\n0.204493 0.454493 0.908985 Ge\n0.795508 0.545508 0.091017 Ge\n0.454493 0.204493 0.408984 Ge\n0.545508 0.795508 0.591017 Ge\n",
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"formula_full": "Ti2 Ge4",
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"spacegroup": 70
},
{
"id": "jvasp-10315",
"created_at": "2022-09-04T14:37:13.446463Z",
"updated_at": "2022-09-04T14:37:13.446498Z",
"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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"formula_full": "Ti2 Ge4 O12",
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"spacegroup": 15
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{
"id": "jvasp-100537",
"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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"formula_full": "Ti2 H1 C1",
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"spacegroup": 166
},
{
"id": "jvasp-37030",
"created_at": "2022-09-04T14:38:07.836997Z",
"updated_at": "2022-09-04T14:38:07.837025Z",
"structure_string": "Ti2 H2\n1.0\n2.863603 0.000000 0.000000\n-1.431802 2.479607 -0.000000\n0.000000 0.000000 5.264493\nTi H\n2 2\ndirect\n0.000000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.333320 0.666640 0.250000 H\n0.666680 0.333361 0.750000 H\n",
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"spacegroup": 194
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{
"id": "jvasp-94970",
"created_at": "2022-09-04T14:35:53.437416Z",
"updated_at": "2022-09-04T14:35:53.437444Z",
"structure_string": "Ti2 H2 O3\n1.0\n-1.557061 -2.696454 0.000072\n-1.556667 2.696228 0.000000\n0.000857 0.000494 -8.804272\nTi H O\n2 2 3\ndirect\n0.666570 0.333285 0.876987 Ti\n0.333429 0.666714 0.123013 Ti\n0.333077 0.666538 0.631706 H\n0.666921 0.333462 0.368294 H\n0.333128 0.666564 0.744582 O\n0.666870 0.333435 0.255418 O\n0.000000 0.000000 0.000000 O\n",
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{
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"created_at": "2022-09-04T14:36:21.045778Z",
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"structure_string": "Ti2 H2 Pd1\n1.0\n-0.000000 -2.827940 0.000000\n-2.827968 -0.000000 0.000000\n1.413984 1.413971 -6.344326\nTi H Pd\n2 2 1\ndirect\n0.342071 0.342072 0.684141 Ti\n0.657929 0.657930 0.315859 Ti\n0.809916 0.809917 0.619833 H\n0.190085 0.190085 0.380168 H\n0.000000 0.000000 0.000000 Pd\n",
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{
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"structure_string": "Ti2 H4\n1.0\n0.000000 0.000000 3.051797\n4.038960 -0.000000 0.000000\n-0.000000 4.038960 0.000000\nTi H\n2 4\ndirect\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.500000 0.180614 0.819386 H\n0.500000 0.819386 0.180614 H\n0.000000 0.319386 0.319386 H\n0.000000 0.680614 0.680614 H\n",
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{
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"structure_string": "Ti2 H4\n1.0\n2.918788 0.000000 0.000000\n0.000000 2.918788 -0.000000\n0.000000 0.000000 4.903005\nTi H\n2 4\ndirect\n0.500000 0.000000 0.263697 Ti\n0.000000 0.500000 0.736302 Ti\n0.500000 0.500000 0.000000 H\n0.000000 0.000000 0.000000 H\n0.000000 0.500000 0.349921 H\n0.500000 0.000000 0.650078 H\n",
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{
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