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{
"id": "jvasp-12407",
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"structure_string": "Ti1 Fe6 Ge6\n1.0\n2.507483 -4.343087 0.000000\n2.507483 4.343087 -0.000000\n-0.000000 0.000000 7.964303\nTi Fe Ge\n1 6 6\ndirect\n0.000000 0.000000 0.000000 Ti\n-0.000000 0.500000 0.248900 Fe\n0.500000 -0.000000 0.248900 Fe\n0.499999 0.499999 0.248900 Fe\n-0.000000 0.500000 0.751100 Fe\n0.500000 -0.000000 0.751100 Fe\n0.499999 0.499999 0.751100 Fe\n0.333332 0.666667 0.500000 Ge\n0.666667 0.333332 0.500000 Ge\n0.333332 0.666667 0.000000 Ge\n0.666667 0.333332 0.000000 Ge\n0.000000 0.000000 0.665376 Ge\n0.000000 0.000000 0.334624 Ge\n",
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{
"id": "jvasp-110976",
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"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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"density": 5.686873664681698,
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"volume": 90.92679721164079,
"volume_molar": 5.475739716644763,
"formula_full": "Ti1 Fe3 O6",
"formula_reduced": "Ti(FeO2)3",
"formula_anonymous": "AB3C6",
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"spacegroup": 146
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{
"id": "jvasp-7934",
"created_at": "2022-09-04T14:36:52.209898Z",
"updated_at": "2022-09-04T14:36:52.209927Z",
"structure_string": "Ti1 Fe2 Sn1\n1.0\n3.692693 0.000000 2.131977\n1.230897 3.481504 2.131977\n0.000000 0.000000 4.263955\nTi Fe Sn\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.750000 0.749999 0.750000 Fe\n0.250000 0.250000 0.250000 Fe\n0.500000 0.499999 0.500000 Sn\n",
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"volume": 54.81794039431455,
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"formula_full": "Ti1 Fe2 Sn1",
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{
"id": "jvasp-22727",
"created_at": "2022-09-04T14:36:06.024739Z",
"updated_at": "2022-09-04T14:36:06.024764Z",
"structure_string": "Ti1 Fe2 Si1\n1.0\n0.000022 2.847127 2.847127\n2.847127 0.000022 2.847127\n2.847127 2.847127 0.000022\nTi Fe Si\n1 2 1\ndirect\n0.749999 0.749999 0.749999 Ti\n-0.000004 -0.000004 -0.000004 Fe\n0.500002 0.500002 0.500002 Fe\n0.250001 0.250001 0.250001 Si\n",
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{
"id": "jvasp-107280",
"created_at": "2022-09-04T14:36:44.104156Z",
"updated_at": "2022-09-04T14:36:44.104174Z",
"structure_string": "Ti1 Fe2 Se4\n1.0\n6.043449 -0.029875 2.901917\n5.048111 3.322762 2.901917\n0.006256 0.001857 6.128285\nTi Fe Se\n1 2 4\ndirect\n0.255092 0.255092 0.691396 Ti\n0.001956 0.001957 0.995854 Fe\n0.741582 0.741580 0.310865 Fe\n0.638399 0.638397 0.034363 Se\n0.360463 0.360462 0.989778 Se\n0.893047 0.893044 0.437302 Se\n0.109465 0.109465 0.540442 Se\n",
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"spacegroup": 8
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{
"id": "jvasp-37031",
"created_at": "2022-09-04T14:35:46.912995Z",
"updated_at": "2022-09-04T14:35:46.913023Z",
"structure_string": "Ti1 Fe2 Sb1\n1.0\n3.021060 3.021060 -0.000000\n3.021060 0.000000 -3.021060\n0.000000 3.021060 -3.021060\nTi Fe Sb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.250000 Fe\n0.750000 0.750000 0.750000 Fe\n0.500000 0.500000 0.500000 Sb\n",
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{
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"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-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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{
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"updated_at": "2022-09-04T14:37:39.715239Z",
"structure_string": "Ti1 Fe1 Te1\n1.0\n3.604170 -0.000002 2.080868\n1.201388 3.398045 2.080868\n-0.000000 0.000000 4.161736\nTi Fe Te\n1 1 1\ndirect\n0.500000 0.500000 0.500001 Ti\n0.250000 0.250000 0.250000 Fe\n0.000000 0.000000 0.000000 Te\n",
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{
"id": "jvasp-18249",
"created_at": "2022-09-04T14:37:27.237687Z",
"updated_at": "2022-09-04T14:37:27.237721Z",
"structure_string": "Ti1 Fe1 Sn1\n1.0\n3.786169 -0.000000 2.185946\n1.262057 3.569634 2.185946\n-0.000000 -0.000000 4.371891\nTi Fe Sn\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Ti\n0.000000 0.000000 0.000000 Fe\n0.500001 0.499999 0.500001 Sn\n",
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{
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"structure_string": "Ti1 Fe1 Se1\n1.0\n3.438027 -0.000000 1.984946\n1.146009 3.241403 1.984946\n0.000000 0.000000 3.969892\nTi Fe Se\n1 1 1\ndirect\n0.500001 0.500000 0.500001 Ti\n0.250000 0.250000 0.250000 Fe\n0.000000 0.000000 0.000000 Se\n",
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