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{
"id": "jvasp-8025",
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{
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{
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"spacegroup": 167
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{
"id": "jvasp-14874",
"created_at": "2022-09-04T14:35:49.701541Z",
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"structure_string": "Ti2 F6\n1.0\n4.798701 -0.036033 2.832925\n1.600059 4.524228 2.832925\n-0.051371 -0.036033 5.572285\nTi F\n2 6\ndirect\n0.500000 0.500001 0.499998 Ti\n0.000000 0.000000 0.000000 Ti\n0.253221 0.750001 0.246777 F\n0.750000 0.246780 0.253220 F\n0.753221 0.746780 0.249998 F\n0.250000 0.753222 0.746777 F\n0.746779 0.250001 0.753219 F\n0.246779 0.253222 0.749999 F\n",
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"volume": 122.28807220032067,
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{
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"updated_at": "2022-09-04T14:36:30.835939Z",
"structure_string": "Ti1 F3\n1.0\n2.905245 3.584204 3.697488\n-0.661815 2.423004 2.453753\n-1.493611 -4.181385 0.499545\nTi F\n1 3\ndirect\n0.000000 0.000000 0.000000 Ti\n0.499999 0.500000 0.500001 F\n-0.000001 0.499999 0.500000 F\n0.499999 0.500001 0.000001 F\n",
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{
"id": "jvasp-30594",
"created_at": "2022-09-04T14:37:29.231372Z",
"updated_at": "2022-09-04T14:37:29.231391Z",
"structure_string": "Ti2 F8\n1.0\n4.695130 0.468173 -1.438517\n-1.375636 4.882990 -2.947303\n1.128763 -1.083358 6.170954\nTi F\n2 8\ndirect\n-0.003140 0.523017 -0.008423 Ti\n0.500075 0.175515 0.005919 Ti\n0.849573 0.410321 0.216649 F\n0.647347 0.288195 0.780835 F\n0.104930 0.537740 0.747927 F\n0.149156 0.092888 0.784747 F\n0.347775 0.605637 0.212746 F\n0.391998 0.160792 0.249567 F\n0.889215 0.893272 0.241293 F\n0.607712 0.805256 0.756202 F\n",
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{
"id": "jvasp-14646",
"created_at": "2022-09-04T14:35:47.156037Z",
"updated_at": "2022-09-04T14:35:47.156063Z",
"structure_string": "Ti1 Fe1\n1.0\n2.945125 -0.000000 -0.000000\n0.000000 2.945125 0.000000\n-0.000000 0.000000 2.945125\nTi Fe\n1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.499999 0.499999 0.499999 Fe\n",
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{
"id": "jvasp-78412",
"created_at": "2022-09-04T14:37:15.403447Z",
"updated_at": "2022-09-04T14:37:15.403472Z",
"structure_string": "Ti1 Fe1\n1.0\n2.945086 0.000000 0.000000\n-0.000000 2.945086 0.000000\n-0.000000 0.000000 2.945086\nTi Fe\n1 1\ndirect\n0.500001 0.500001 0.500001 Ti\n0.000000 0.000000 0.000000 Fe\n",
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{
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"created_at": "2022-09-04T14:37:36.082299Z",
"updated_at": "2022-09-04T14:37:36.082324Z",
"structure_string": "Ti4 Fe8\n1.0\n2.348367 -4.067489 -0.000000\n2.348367 4.067489 0.000000\n-0.000000 0.000000 7.712854\nTi Fe\n4 8\ndirect\n0.333334 0.666668 0.435084 Ti\n0.666668 0.333334 0.935084 Ti\n0.666668 0.333334 0.564916 Ti\n0.333334 0.666668 0.064916 Ti\n0.658602 0.829302 0.750000 Fe\n0.341399 0.170700 0.250000 Fe\n0.829301 0.170700 0.250000 Fe\n0.170700 0.341399 0.750000 Fe\n0.170700 0.829301 0.750000 Fe\n0.829302 0.658602 0.250000 Fe\n0.000000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n",
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"formula_full": "Ti4 Fe8",
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"spacegroup": 194
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{
"id": "jvasp-37044",
"created_at": "2022-09-04T14:35:46.584570Z",
"updated_at": "2022-09-04T14:35:46.584597Z",
"structure_string": "Ti1 Fe2 As1\n1.0\n2.901284 2.901284 0.000000\n2.901284 0.000000 -2.901284\n-0.000000 2.901284 -2.901284\nTi Fe As\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.250000 Fe\n0.749999 0.749999 0.749999 Fe\n0.499999 0.499999 0.499999 As\n",
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{
"id": "jvasp-80057",
"created_at": "2022-09-04T14:37:16.164139Z",
"updated_at": "2022-09-04T14:37:16.164162Z",
"structure_string": "Ti1 Fe2 Ge1\n1.0\n0.000009 2.890205 2.890205\n2.890203 0.000009 2.890205\n2.890204 2.890205 0.000009\nTi Fe Ge\n1 2 1\ndirect\n0.749999 0.749998 0.750000 Ti\n0.999999 0.999997 1.000000 Fe\n0.500001 0.499999 0.500001 Fe\n0.250000 0.249999 0.250001 Ge\n",
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{
"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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"formula_full": "Ti2 Fe4 O10",
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