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{
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"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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{
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"created_at": "2022-09-04T14:35:41.436974Z",
"updated_at": "2022-09-04T14:35:41.437001Z",
"structure_string": "Ti2 Fe2 O6\n1.0\n2.879722 0.000000 0.000000\n-1.439861 4.711342 0.000000\n0.000000 0.000000 7.236445\nTi Fe O\n2 2 6\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.756725 0.513455 0.250000 Fe\n0.243272 0.486545 0.750000 Fe\n0.367190 0.734379 0.428668 O\n0.367190 0.734379 0.071331 O\n0.905378 0.810759 0.750000 O\n0.632808 0.265620 0.928667 O\n0.632808 0.265620 0.571331 O\n0.094620 0.189240 0.250000 O\n",
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"formula_full": "Ti2 Fe2 O6",
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"spacegroup": 63
},
{
"id": "jvasp-85695",
"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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"formula_full": "Ti2 Fe2 H4",
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"spacegroup": 65
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{
"id": "jvasp-91811",
"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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"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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"spacegroup": 26
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{
"id": "jvasp-95058",
"created_at": "2022-09-04T14:35:41.345438Z",
"updated_at": "2022-09-04T14:35:41.345455Z",
"structure_string": "Ti2 Fe2 H2\n1.0\n-2.899664 0.000000 0.000000\n0.000000 -0.000000 -4.265001\n0.000000 -4.552356 -0.000000\nTi Fe H\n2 2 2\ndirect\n0.499999 0.750000 0.253422 Ti\n0.499999 0.250000 0.746579 Ti\n0.000000 0.750000 0.696501 Fe\n0.000000 0.250000 0.303500 Fe\n0.000000 0.500000 0.000000 H\n0.000000 0.000000 0.000000 H\n",
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{
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"created_at": "2022-09-04T14:36:39.006430Z",
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"structure_string": "Ti2 Fe1 Tc1\n1.0\n3.709374 0.000000 2.141608\n1.236458 3.497232 2.141608\n-0.000000 -0.000000 4.283217\nTi Fe Tc\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ti\n0.750000 0.750000 0.750001 Ti\n0.500000 0.500000 0.500001 Fe\n0.000000 0.000000 0.000000 Tc\n",
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{
"id": "jvasp-8078",
"created_at": "2022-09-04T14:37:05.844266Z",
"updated_at": "2022-09-04T14:37:05.844278Z",
"structure_string": "Ti2 Fe1 Se4\n1.0\n3.452549 0.000000 -0.921235\n-0.746120 5.547026 -2.796269\n0.011214 -0.011445 6.972276\nTi Fe Se\n2 1 4\ndirect\n0.749344 0.731448 0.498689 Ti\n0.250655 0.268552 0.501312 Ti\n0.000000 0.000000 0.000000 Fe\n0.624498 0.954191 0.248997 Se\n0.375501 0.045809 0.751004 Se\n0.883503 0.548595 0.767010 Se\n0.116496 0.451405 0.232991 Se\n",
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{
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"created_at": "2022-09-04T14:38:15.683999Z",
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"structure_string": "Ti2 Fe1 S4\n1.0\n3.260489 0.000000 -0.865834\n-0.695225 5.253664 -2.618023\n0.012772 -0.003245 6.620062\nTi Fe S\n2 1 4\ndirect\n0.255698 0.245633 0.511398 Ti\n0.744300 0.754367 0.488603 Ti\n0.000000 0.000000 0.000000 Fe\n0.882272 0.209210 0.764545 S\n0.117727 0.790790 0.235456 S\n0.376485 0.710146 0.752975 S\n0.623513 0.289854 0.247026 S\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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"created_at": "2022-09-04T14:36:35.606511Z",
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"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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