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{
"id": "jvasp-97790",
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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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{
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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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"formula_full": "Ti2 Fe4 O8",
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"formula_anonymous": "AB2C4",
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{
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"updated_at": "2022-09-04T14:38:15.418481Z",
"structure_string": "Ti4 Fe4 O12\n1.0\n5.154850 0.000000 0.000000\n0.000000 5.242775 0.000000\n0.000000 0.000000 7.493425\nTi Fe O\n4 4 12\ndirect\n0.500000 0.000000 0.000000 Ti\n0.000000 0.500000 0.000000 Ti\n0.000000 0.500000 0.500000 Ti\n0.500000 0.000000 0.500000 Ti\n0.991560 0.955743 0.750000 Fe\n0.491560 0.544255 0.250000 Fe\n0.508440 0.455744 0.750000 Fe\n0.008440 0.044256 0.250000 Fe\n0.169206 0.175971 0.936784 O\n0.669206 0.324029 0.063215 O\n0.330794 0.675970 0.563215 O\n0.381963 0.928462 0.250000 O\n0.618037 0.071537 0.750000 O\n0.169206 0.175971 0.563215 O\n0.330794 0.675970 0.936784 O\n0.830794 0.824028 0.063215 O\n0.881963 0.571536 0.750000 O\n0.830794 0.824028 0.436785 O\n0.118037 0.428463 0.250000 O\n0.669206 0.324029 0.436785 O\n",
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"volume": 202.51519621511497,
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"formula_full": "Ti4 Fe4 O12",
"formula_reduced": "TiFeO3",
"formula_anonymous": "ABC3",
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"spacegroup": 62
},
{
"id": "jvasp-12248",
"created_at": "2022-09-04T14:38:12.622943Z",
"updated_at": "2022-09-04T14:38:12.622968Z",
"structure_string": "Ti2 Fe2 O6\n1.0\n4.542487 0.043857 3.126963\n1.666834 4.225846 3.126963\n0.063780 0.043857 5.514347\nTi Fe O\n2 2 6\ndirect\n0.647498 0.647501 0.647498 Ti\n0.352500 0.352502 0.352500 Ti\n0.851998 0.852001 0.851999 Fe\n0.148000 0.148001 0.148000 Fe\n0.062946 0.732690 0.444470 O\n0.732689 0.444471 0.062946 O\n0.444470 0.062948 0.732689 O\n0.937053 0.267312 0.555529 O\n0.555529 0.937054 0.267310 O\n0.267310 0.555531 0.937053 O\n",
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"volume": 104.22105799267861,
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"formula_full": "Ti2 Fe2 O6",
"formula_reduced": "TiFeO3",
"formula_anonymous": "ABC3",
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"spacegroup": 148
},
{
"id": "jvasp-44766",
"created_at": "2022-09-04T14:38:11.937974Z",
"updated_at": "2022-09-04T14:38:11.937993Z",
"structure_string": "Ti1 Fe1 O4\n1.0\n5.333030 0.183985 0.000000\n2.499426 4.714651 0.000000\n-3.916228 -2.449318 2.671903\nTi Fe O\n1 1 4\ndirect\n0.750000 0.249999 0.500000 Ti\n0.000000 0.000000 0.000000 Fe\n0.533887 0.033886 0.500000 O\n0.203141 0.203141 -0.000000 O\n0.966114 0.466112 0.500000 O\n0.796860 0.796858 -0.000000 O\n",
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"volume": 65.95196667626824,
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"formula_full": "Ti1 Fe1 O4",
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"formula_anonymous": "ABC4",
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"spacegroup": 119
},
{
"id": "jvasp-12642",
"created_at": "2022-09-04T14:37:18.217256Z",
"updated_at": "2022-09-04T14:37:18.217277Z",
"structure_string": "Ti2 Fe4 O10\n1.0\n3.737071 0.000000 0.000000\n-1.868535 4.928270 -0.000000\n0.000000 0.000000 10.060593\nTi Fe O\n2 4 10\ndirect\n0.181625 0.363249 0.750000 Ti\n0.818374 0.636751 0.250000 Ti\n0.138845 0.277689 0.438067 Fe\n0.861154 0.722311 0.561934 Fe\n0.861154 0.722311 0.938066 Fe\n0.138845 0.277689 0.061934 Fe\n0.310166 0.620333 0.578378 O\n0.689832 0.379667 0.421623 O\n0.689832 0.379667 0.078378 O\n0.310166 0.620333 0.921621 O\n0.047388 0.094776 0.619327 O\n0.952610 0.905224 0.380671 O\n0.746633 0.493268 0.750000 O\n0.253366 0.506732 0.250000 O\n0.952610 0.905224 0.119329 O\n0.047388 0.094776 0.880672 O\n",
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"volume": 185.28890812140423,
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"formula_full": "Ti2 Fe4 O10",
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"formula_anonymous": "AB2C5",
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"spacegroup": 63
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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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"volume": 90.92679721164079,
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"formula_full": "Ti1 Fe3 O6",
"formula_reduced": "Ti(FeO2)3",
"formula_anonymous": "AB3C6",
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"spacegroup": 146
},
{
"id": "jvasp-100240",
"created_at": "2022-09-04T14:36:35.606511Z",
"updated_at": "2022-09-04T14:36:35.606526Z",
"structure_string": "Ti2 Fe1 Os1\n1.0\n3.714314 0.000000 2.144460\n1.238104 3.501889 2.144460\n-0.000000 -0.000000 4.288920\nTi Fe Os\n2 1 1\ndirect\n0.749998 0.750000 0.750001 Ti\n0.249999 0.250000 0.250000 Ti\n0.499999 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Os\n",
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},
{
"id": "jvasp-109138",
"created_at": "2022-09-04T14:38:19.142119Z",
"updated_at": "2022-09-04T14:38:19.142152Z",
"structure_string": "Ti4 Fe2 P3\n1.0\n6.196680 0.007563 0.000000\n-2.907828 5.472059 0.000000\n-0.000000 0.000000 3.469570\nTi Fe P\n4 2 3\ndirect\n0.409994 0.409994 0.500000 Ti\n0.576984 0.990742 0.500000 Ti\n0.990741 0.576984 0.500000 Ti\n0.759028 0.759028 -0.000000 Ti\n0.251436 0.003456 -0.000000 Fe\n0.003457 0.251436 -0.000000 Fe\n0.320068 0.662905 -0.000000 P\n0.662905 0.320068 -0.000000 P\n0.025285 0.025285 0.500000 P\n",
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{
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"structure_string": "Ti3 Fe3 P3\n1.0\n0.000000 0.000000 -3.574302\n-2.993965 -5.185698 0.000000\n-2.993978 5.185707 0.000000\nTi Fe P\n3 3 3\ndirect\n0.000000 0.419507 -0.000000 Ti\n0.000000 0.580483 0.580496 Ti\n0.000000 0.999987 0.419504 Ti\n0.500000 0.756201 -0.000001 Fe\n0.500000 0.243779 0.243785 Fe\n0.500000 -0.000005 0.756216 Fe\n0.000000 -0.000003 0.000000 P\n0.500000 0.333320 0.666662 P\n0.500000 0.666658 0.333338 P\n",
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{
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"structure_string": "Ti2 Fe1 Ru1\n1.0\n3.692787 -0.000000 2.132032\n1.230929 3.481593 2.132032\n-0.000000 -0.000000 4.264064\nTi Fe Ru\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ti\n0.750001 0.749999 0.749999 Ti\n0.500001 0.500000 0.499999 Fe\n0.000000 0.000000 0.000000 Ru\n",
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{
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"structure_string": "Ti3 Fe1 S6\n1.0\n5.206453 -0.010518 3.870788\n1.939740 4.831633 3.870788\n-0.015591 -0.010518 6.487674\nTi Fe S\n3 1 6\ndirect\n0.000000 0.000000 0.000000 Ti\n0.329555 0.329555 0.329555 Ti\n0.670445 0.670444 0.670445 Ti\n0.500000 0.499999 0.500000 Fe\n0.904143 0.581201 0.249584 S\n0.581202 0.249583 0.904143 S\n0.249584 0.904142 0.581202 S\n0.750416 0.095857 0.418798 S\n0.418798 0.750416 0.095858 S\n0.095857 0.418797 0.750416 S\n",
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}
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}