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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=632",
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{
"id": "jvasp-43428",
"created_at": "2022-09-04T14:35:54.115940Z",
"updated_at": "2022-09-04T14:35:54.115967Z",
"structure_string": "Ti6 Nb2 O16\n1.0\n5.964895 -0.000014 -0.000003\n-2.982459 5.165771 0.000006\n0.000002 -0.000002 9.356148\nTi Nb O\n6 2 16\ndirect\n0.663125 0.831571 0.213919 Ti\n0.336876 0.168447 0.713919 Ti\n0.831553 0.168450 0.713893 Ti\n0.168435 0.831571 0.213925 Ti\n0.168449 0.336897 0.213892 Ti\n0.831566 0.663136 0.713926 Ti\n0.333330 0.666666 0.490905 Nb\n0.666671 0.333337 0.990905 Nb\n0.831160 0.662316 0.100670 O\n0.666660 0.333345 0.605364 O\n0.521016 0.042032 0.835820 O\n0.521017 0.479004 0.835836 O\n0.662321 0.831158 0.600659 O\n0.337680 0.168838 0.100658 O\n0.478984 0.521017 0.335820 O\n0.000000 0.000026 0.310389 O\n0.168839 0.337681 0.600657 O\n-0.000000 0.000026 0.810389 O\n0.957968 0.478992 0.835829 O\n0.333341 0.666685 0.105364 O\n0.042033 0.521024 0.335828 O\n0.168840 0.831156 0.600670 O\n0.478984 0.957986 0.335836 O\n0.831162 0.168843 0.100657 O\n",
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{
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"created_at": "2022-09-04T14:36:46.020249Z",
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"structure_string": "Ti3 Nb1 Cu3 O12\n1.0\n-3.749835 3.722271 3.722271\n3.722271 -3.749835 3.722271\n3.722271 3.722271 -3.749835\nTi Nb Cu O\n3 1 3 12\ndirect\n0.500000 -0.000000 -0.000000 Ti\n-0.000000 0.500000 -0.000000 Ti\n-0.000000 -0.000000 0.500000 Ti\n0.499999 0.499999 0.499999 Nb\n0.500000 0.500000 -0.000001 Cu\n0.500000 -0.000001 0.500000 Cu\n-0.000001 0.500000 0.500000 Cu\n0.133996 0.820278 0.313578 O\n0.688019 0.508631 0.825382 O\n0.313578 0.133996 0.820278 O\n0.174616 0.311980 0.491368 O\n0.825382 0.688019 0.508631 O\n0.866002 0.179720 0.686420 O\n0.686420 0.866002 0.179720 O\n0.508631 0.825382 0.688019 O\n0.491368 0.174616 0.311980 O\n0.820278 0.313578 0.133996 O\n0.311980 0.491368 0.174616 O\n0.179720 0.686420 0.866002 O\n",
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"volume": 206.28424115415098,
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"formula_full": "Ti3 Nb1 Cu3 O12",
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{
"id": "jvasp-111336",
"created_at": "2022-09-04T14:38:47.108021Z",
"updated_at": "2022-09-04T14:38:47.108032Z",
"structure_string": "Ti3 Nb1 Al2 C2\n1.0\n3.077924 -0.000000 0.000000\n-1.538962 2.665560 0.000000\n0.000000 0.000000 13.792204\nTi Nb Al C\n3 1 2 2\ndirect\n0.333333 0.666667 0.587307 Ti\n0.333333 0.666667 0.915955 Ti\n0.666666 0.333333 0.082828 Ti\n0.666666 0.333333 0.410891 Nb\n0.666666 0.333333 0.751986 Al\n0.333333 0.666667 0.246045 Al\n0.000000 0.000000 0.505855 C\n0.000000 0.000000 0.999134 C\n",
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"elements": [
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"density": 4.61507194627828,
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"volume": 113.15663571167636,
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"formula_full": "Ti3 Nb1 Al2 C2",
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"spacegroup": 156
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{
"id": "jvasp-109675",
"created_at": "2022-09-04T14:38:20.553321Z",
"updated_at": "2022-09-04T14:38:20.553347Z",
"structure_string": "Ti3 Nb3 Sn2\n1.0\n5.277031 -0.014960 -0.022170\n-0.022200 5.277005 -0.022170\n-0.014939 -0.014960 5.277056\nTi Nb Sn\n3 3 2\ndirect\n-0.000000 0.737558 0.262442 Ti\n0.737558 0.262442 -0.000000 Ti\n0.262442 -0.000000 0.737558 Ti\n0.500000 0.744789 0.255211 Nb\n0.744789 0.255211 0.500000 Nb\n0.255211 0.500000 0.744789 Nb\n0.241697 0.241697 0.241697 Sn\n0.758303 0.758304 0.758303 Sn\n",
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"elements": [
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"formula_full": "Ti3 Nb3 Sn2",
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"formula_anonymous": "A2B3C3",
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{
"id": "jvasp-37599",
"created_at": "2022-09-04T14:38:26.764460Z",
"updated_at": "2022-09-04T14:38:26.764490Z",
"structure_string": "Ti3 Nb1\n1.0\n4.114253 0.000000 0.000000\n0.000000 4.114253 0.000000\n-0.000000 0.000000 4.114253\nTi Nb\n3 1\ndirect\n0.000000 0.500000 0.500000 Ti\n0.500000 0.000000 0.500000 Ti\n0.500000 0.500000 0.000000 Ti\n0.000000 0.000000 0.000000 Nb\n",
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{
"id": "jvasp-106279",
"created_at": "2022-09-04T14:38:38.936859Z",
"updated_at": "2022-09-04T14:38:38.936870Z",
"structure_string": "Ti6 Nb2\n1.0\n5.800661 -0.000000 0.000000\n-2.900330 5.023520 0.000000\n-0.000000 -0.000000 4.788046\nTi Nb\n6 2\ndirect\n0.165896 0.331792 0.250000 Ti\n0.668208 0.834104 0.250000 Ti\n0.165896 0.834104 0.250000 Ti\n0.834104 0.668208 0.750001 Ti\n0.331792 0.165896 0.750001 Ti\n0.834104 0.165896 0.750001 Ti\n0.333333 0.666667 0.750001 Nb\n0.666667 0.333333 0.250000 Nb\n",
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{
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"created_at": "2022-09-04T14:38:48.063498Z",
"updated_at": "2022-09-04T14:38:48.063516Z",
"structure_string": "Ti3 Nb1\n1.0\n2.867977 0.021317 0.000000\n-1.056482 2.666382 0.000000\n-0.000000 -0.000000 8.999084\nTi Nb\n3 1\ndirect\n0.177869 0.822132 -0.000000 Ti\n0.781510 0.218492 0.753483 Ti\n0.781510 0.218492 0.246516 Ti\n0.259117 0.740884 0.500000 Nb\n",
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{
"id": "jvasp-37615",
"created_at": "2022-09-04T14:37:50.805611Z",
"updated_at": "2022-09-04T14:37:50.805636Z",
"structure_string": "Ti3 Nb1\n1.0\n-1.965072 1.965072 4.486021\n1.965072 -1.965072 4.486021\n1.965072 1.965072 -4.486021\nTi Nb\n3 1\ndirect\n0.750002 0.250001 0.500002 Ti\n0.250001 0.750002 0.500002 Ti\n0.500000 0.500000 0.000000 Ti\n0.000000 0.000000 0.000000 Nb\n",
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{
"id": "jvasp-110147",
"created_at": "2022-09-04T14:38:19.705183Z",
"updated_at": "2022-09-04T14:38:19.705195Z",
"structure_string": "Ti3 N4\n1.0\n3.797094 0.002210 -3.441599\n-0.744595 3.723373 -3.441599\n-0.001810 -0.002210 5.124697\nTi N\n3 4\ndirect\n0.250001 0.749999 0.500000 Ti\n0.500000 0.500000 -0.000000 Ti\n0.750000 0.250000 0.500000 Ti\n0.000001 0.500000 0.500000 N\n0.260462 0.260462 -0.000000 N\n0.500000 0.000000 0.500000 N\n0.739538 0.739538 -0.000001 N\n",
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{
"id": "jvasp-50017",
"created_at": "2022-09-04T14:37:08.177967Z",
"updated_at": "2022-09-04T14:37:08.177987Z",
"structure_string": "Ti6 N4 O6\n1.0\n-0.000000 3.766254 0.000000\n-4.959501 1.883127 0.000000\n0.000000 -0.000000 10.026242\nTi N O\n6 4 6\ndirect\n0.133466 0.733068 0.941409 Ti\n0.134918 0.730165 0.550857 Ti\n0.195371 0.609260 0.245988 Ti\n0.804629 0.390740 0.745988 Ti\n0.865082 0.269835 0.050857 Ti\n0.866534 0.266931 0.441409 Ti\n0.046724 0.906554 0.382246 N\n0.696652 0.606693 0.576407 N\n0.303348 0.393307 0.076407 N\n0.953276 0.093445 0.882246 N\n0.045163 0.909676 0.119684 O\n0.685320 0.629360 0.922727 O\n0.754443 0.491114 0.260681 O\n0.245557 0.508886 0.760681 O\n0.314680 0.370640 0.422727 O\n0.954836 0.090324 0.619684 O\n",
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"formula_full": "Ti6 N4 O6",
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"spacegroup": 36
},
{
"id": "jvasp-49924",
"created_at": "2022-09-04T14:37:56.150340Z",
"updated_at": "2022-09-04T14:37:56.150358Z",
"structure_string": "Ti6 N4 O6\n1.0\n3.847025 0.000000 -0.000000\n-1.923513 4.872314 -0.019542\n-0.000000 -0.049750 9.897193\nTi N O\n6 4 6\ndirect\n0.145623 0.291246 0.565944 Ti\n0.147300 0.294600 0.940306 Ti\n0.200518 0.401034 0.249023 Ti\n0.800287 0.600574 0.757093 Ti\n0.859496 0.718994 0.056578 Ti\n0.865066 0.730134 0.439336 Ti\n0.305290 0.610579 0.428168 N\n0.311116 0.622232 0.079015 N\n0.237667 0.475334 0.744935 N\n0.693623 0.387246 0.926901 N\n0.047450 0.094899 0.117901 O\n0.042053 0.084106 0.376914 O\n0.952409 0.904818 0.615402 O\n0.954764 0.909528 0.881162 O\n0.683755 0.367511 0.570231 O\n0.753577 0.507156 0.251090 O\n",
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{
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"created_at": "2022-09-04T14:36:56.202256Z",
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"structure_string": "Ti6 N4 O6\n1.0\n3.803154 -0.000000 -0.000000\n-1.901576 4.932778 -0.025985\n-0.000000 -0.051878 9.957087\nTi N O\n6 4 6\ndirect\n0.190227 0.380454 0.248681 Ti\n0.143870 0.287741 0.945419 Ti\n0.134849 0.269698 0.554337 Ti\n0.799072 0.598144 0.747346 Ti\n0.856242 0.712486 0.049675 Ti\n0.864615 0.729235 0.442434 Ti\n0.305686 0.611375 0.077208 N\n0.045490 0.090981 0.381961 N\n0.694744 0.389492 0.575588 N\n0.692867 0.385736 0.921484 N\n0.315032 0.630066 0.424087 O\n0.248919 0.497839 0.752538 O\n0.045566 0.091131 0.117105 O\n0.752726 0.505456 0.257913 O\n0.954411 0.908825 0.882905 O\n0.955668 0.911341 0.621323 O\n",
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"formula_full": "Ti6 N4 O6",
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}
]
}