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{
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"structure_string": "Ti2 Fe2 O6\n1.0\n4.525645 0.023035 3.101480\n1.646552 4.215550 3.101480\n0.033543 0.023035 5.486303\nTi Fe O\n2 2 6\ndirect\n0.293092 0.293094 0.293092 Ti\n0.793091 0.793095 0.793091 Ti\n0.000367 0.000367 0.000367 Fe\n0.500367 0.500368 0.500366 Fe\n0.573695 0.192932 0.916915 O\n0.192928 0.916917 0.573696 O\n0.916916 0.573696 0.192930 O\n0.416916 0.692930 0.073695 O\n0.073695 0.416916 0.692930 O\n0.692931 0.073698 0.416914 O\n",
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"formula_full": "Ti2 Fe2 O6",
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"spacegroup": 161
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{
"id": "jvasp-13297",
"created_at": "2022-09-04T14:37:03.917292Z",
"updated_at": "2022-09-04T14:37:03.917309Z",
"structure_string": "Ti1 Fe4 O8\n1.0\n5.832686 0.024549 0.004313\n2.937603 5.088077 -0.000000\n2.924787 1.703425 4.806302\nTi Fe O\n1 4 8\ndirect\n0.500000 0.500000 -0.000000 Ti\n0.143433 0.122177 0.112212 Fe\n0.500001 -0.000000 0.500000 Fe\n0.500001 0.500000 0.500000 Fe\n0.856568 0.877823 0.887787 Fe\n0.280547 0.245483 0.244544 O\n0.280547 0.729427 0.244544 O\n0.282908 0.241367 0.734359 O\n0.743057 0.256532 0.243878 O\n0.256944 0.743468 0.756121 O\n0.717094 0.758633 0.265640 O\n0.719454 0.270574 0.755455 O\n0.719454 0.754517 0.755455 O\n",
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"formula_full": "Ti1 Fe4 O8",
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{
"id": "jvasp-110976",
"created_at": "2022-09-04T14:38:37.866365Z",
"updated_at": "2022-09-04T14:38:37.866393Z",
"structure_string": "Ti1 Fe3 O6\n1.0\n4.353595 0.080039 3.087593\n1.638488 4.034297 3.087593\n0.116568 0.080039 5.336050\nTi Fe O\n1 3 6\ndirect\n0.152047 0.152048 0.152047 Ti\n0.656586 0.656587 0.656585 Fe\n0.341014 0.341015 0.341014 Fe\n0.847333 0.847335 0.847333 Fe\n0.742459 0.064622 0.439292 O\n0.439292 0.742460 0.064621 O\n0.064622 0.439293 0.742458 O\n0.256561 0.929780 0.570304 O\n0.570305 0.256561 0.929779 O\n0.929778 0.570306 0.256560 O\n",
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"formula_full": "Ti1 Fe3 O6",
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"formula_anonymous": "AB3C6",
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"spacegroup": 146
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{
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"created_at": "2022-09-04T14:38:32.576111Z",
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"structure_string": "Ti2 Fe4 O8\n1.0\n2.940350 -0.012933 0.009898\n-1.447515 4.805822 -0.005719\n-0.034932 0.001913 10.352539\nTi Fe O\n2 4 8\ndirect\n0.867098 0.733300 0.573129 Ti\n0.132891 0.266711 0.073131 Ti\n0.589720 0.180268 0.802450 Fe\n0.868642 0.738379 0.914177 Fe\n0.410257 0.819710 0.302438 Fe\n0.131408 0.261634 0.414175 Fe\n0.217653 0.436450 0.882767 O\n0.782363 0.563544 0.382764 O\n0.754770 0.510893 0.103506 O\n0.245220 0.489105 0.603505 O\n0.494828 0.988657 0.492624 O\n0.505171 0.011336 0.992637 O\n0.035113 0.070013 0.231354 O\n0.964876 0.929996 0.731347 O\n",
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"structure_string": "Ti2 Fe2 H4\n1.0\n0.000000 0.000000 -2.836889\n0.000000 -4.562297 0.000000\n-4.711332 0.000000 0.000000\nTi Fe H\n2 2 4\ndirect\n0.500000 0.300094 0.289684 Ti\n0.500000 0.800095 0.710316 Ti\n0.000000 0.791466 0.193491 Fe\n0.000000 0.291466 0.806509 Fe\n0.500000 0.438347 0.910616 H\n0.500000 0.938347 0.089384 H\n0.000000 0.552094 0.492469 H\n0.000000 0.052093 0.507530 H\n",
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{
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"created_at": "2022-09-04T14:36:03.944138Z",
"updated_at": "2022-09-04T14:36:03.944156Z",
"structure_string": "Ti2 Fe2 H4\n1.0\n4.649443 -0.028265 0.000000\n-0.597195 4.611494 0.000000\n0.000000 0.000000 2.782959\nTi Fe H\n2 2 4\ndirect\n0.717988 0.781981 0.500000 Ti\n0.282011 0.218017 0.500000 Ti\n0.793832 0.293809 0.000000 Fe\n0.206166 0.706189 0.000000 Fe\n0.000000 0.000000 0.000000 H\n0.500000 -0.000001 0.000000 H\n0.499999 0.499999 0.000000 H\n-0.000001 0.500000 0.500000 H\n",
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{
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"created_at": "2022-09-04T14:35:43.810989Z",
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"structure_string": "Ti2 Fe2 H4\n1.0\n0.000000 2.632958 0.000000\n0.656415 0.000000 5.171912\n5.213145 0.000000 -0.042895\nTi Fe H\n2 2 4\ndirect\n0.000000 0.722549 0.777471 Ti\n0.000000 0.277451 0.222529 Ti\n0.000000 0.232508 0.732491 Fe\n0.000000 0.767493 0.267509 Fe\n0.000000 0.000000 0.000000 H\n0.000000 0.000000 0.500000 H\n0.000000 0.500000 0.500000 H\n0.500000 0.500000 -0.000000 H\n",
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{
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