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{
"id": "jvasp-101888",
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"structure_string": "Ti1 H10 C6 O4\n1.0\n4.887312 -0.106809 0.032836\n1.889750 5.712987 1.681233\n-0.043366 0.215934 6.771230\nTi H C O\n1 10 6 4\ndirect\n0.656470 0.192550 0.290577 Ti\n0.223785 0.461776 0.708520 H\n0.717833 0.096186 0.910653 H\n0.499918 0.676883 0.841043 H\n0.181178 0.881377 0.869406 H\n0.896467 0.678196 0.702122 H\n0.918157 0.504024 0.394954 H\n0.725832 0.355840 0.590843 H\n0.531893 0.596282 0.369759 H\n0.958556 0.864159 0.118986 H\n0.579638 0.900378 0.109251 H\n0.744815 -0.007173 0.075630 C\n0.727004 0.444997 0.423128 C\n0.077827 0.447664 0.003383 C\n0.268196 0.929481 0.560574 C\n0.277160 0.765748 0.775824 C\n0.109786 0.590394 0.786141 C\n0.851241 0.395811 0.041784 O\n0.051904 0.990560 0.432348 O\n0.485914 0.006642 0.518681 O\n0.295618 0.377118 0.141819 O\n",
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{
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"structure_string": "Ti1 H10 C6 O4\n1.0\n4.665601 -0.087612 0.677548\n0.906799 5.904753 1.642370\n-0.017355 0.221823 6.956707\nTi H C O\n1 10 6 4\ndirect\n0.970675 0.801259 0.710788 Ti\n0.912458 0.773209 0.332306 H\n0.006848 0.502504 0.512411 H\n0.248536 0.941587 0.967600 H\n0.860568 0.991735 -0.003505 H\n0.283269 0.677295 0.379715 H\n0.799190 0.182347 0.239785 H\n0.644015 0.403970 0.344333 H\n0.179952 0.436787 0.182544 H\n0.325849 0.209994 0.083557 H\n0.061426 0.192216 0.808109 H\n0.055087 0.011400 0.886762 C\n0.059014 0.678806 0.447499 C\n0.465539 0.094344 0.475326 C\n0.495807 0.516541 0.937467 C\n0.590633 0.264805 0.292951 C\n0.385928 0.351623 0.127992 C\n0.747747 0.575697 0.922559 O\n0.633550 -0.004178 0.618974 O\n0.214023 0.050484 0.485672 O\n0.332949 0.591917 0.794475 O\n",
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"formula_full": "Ti1 H10 C6 O4",
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{
"id": "jvasp-39649",
"created_at": "2022-09-04T14:37:45.583789Z",
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"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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],
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"formula_full": "Ti1 Ge1 Ru2",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"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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},
{
"id": "jvasp-40786",
"created_at": "2022-09-04T14:37:51.521150Z",
"updated_at": "2022-09-04T14:37:51.521175Z",
"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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{
"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-75755",
"created_at": "2022-09-04T14:35:41.920991Z",
"updated_at": "2022-09-04T14:35:41.921007Z",
"structure_string": "Ti1 Ge1 As1\n1.0\n-0.000000 3.138952 3.138952\n3.138952 -0.000000 3.138952\n3.138952 3.138952 0.000000\nTi Ge As\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.749999 0.749999 0.749999 Ge\n0.500000 0.500000 0.500000 As\n",
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},
{
"id": "jvasp-35478",
"created_at": "2022-09-04T14:37:47.013961Z",
"updated_at": "2022-09-04T14:37:47.013972Z",
"structure_string": "Ti1 Ga5 Ni1\n1.0\n4.145246 -0.000000 -0.000000\n-0.000000 4.145246 0.000000\n-0.000000 0.000000 6.380558\nTi Ga Ni\n1 5 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.500000 0.292074 Ga\n0.000000 0.500000 0.707926 Ga\n0.500000 0.000000 0.292074 Ga\n0.500000 0.000000 0.707926 Ga\n0.500000 0.500000 0.000000 Ga\n0.000000 0.000000 0.500000 Ni\n",
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{
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"created_at": "2022-09-04T14:37:33.404442Z",
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"structure_string": "Ti1 Ga5 Co1\n1.0\n4.074027 0.000000 0.000000\n-0.000000 4.074027 -0.000000\n0.000000 -0.000000 6.491515\nTi Ga Co\n1 5 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.500000 0.296472 Ga\n0.000000 0.500000 0.703529 Ga\n0.500000 0.000000 0.296472 Ga\n0.500000 0.000000 0.703529 Ga\n0.500000 0.500000 0.000000 Ga\n0.000000 0.000000 0.500000 Co\n",
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},
{
"id": "jvasp-34303",
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"structure_string": "Ti1 Ga4 O8\n1.0\n2.995239 0.000030 0.615389\n1.407969 6.164442 0.744346\n-0.101498 0.158747 8.091700\nTi Ga O\n1 4 8\ndirect\n0.000000 0.000000 0.000000 Ti\n0.537206 0.640230 0.285369 Ga\n0.760040 0.844194 0.635734 Ga\n0.239960 0.155806 0.364266 Ga\n0.462794 0.359770 0.714631 Ga\n0.891462 0.526653 0.690418 O\n0.558210 0.806205 0.077374 O\n0.441790 0.193796 0.922626 O\n0.835101 0.109299 0.220515 O\n0.108538 0.473347 0.309583 O\n0.644913 0.169153 0.541021 O\n0.355087 0.830847 0.458980 O\n0.164900 0.890702 0.779486 O\n",
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{
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"structure_string": "Ti1 Ga3\n1.0\n3.519549 -0.000000 -1.400704\n-0.557449 3.475122 -1.400704\n0.018665 0.021897 5.169038\nTi Ga\n1 3\ndirect\n0.000000 0.000000 0.000000 Ti\n0.250001 0.750000 0.500001 Ga\n0.750001 0.250000 0.500001 Ga\n0.500000 0.500000 0.000001 Ga\n",
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{
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"structure_string": "Ti1 Ga1 Tc2\n1.0\n3.770322 -0.000000 2.176797\n1.256774 3.554694 2.176797\n-0.000000 -0.000000 4.353593\nTi Ga Tc\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.499999 0.499999 0.500001 Ga\n0.250000 0.250000 0.250001 Tc\n0.749999 0.749999 0.750002 Tc\n",
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}