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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=579",
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"results": [
{
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"structure_string": "Ti2 Nb6 O12\n1.0\n6.419275 0.001303 1.921890\n1.431140 6.257710 1.921890\n0.001634 0.001303 6.700803\nTi Nb O\n2 6 12\ndirect\n0.726333 0.726332 0.726333 Ti\n0.273667 0.273667 0.273667 Ti\n0.296387 0.881390 0.055925 Nb\n0.881391 0.055925 0.296387 Nb\n0.703613 0.118609 0.944074 Nb\n0.944075 0.703613 0.118609 Nb\n0.118609 0.944074 0.703613 Nb\n0.055925 0.296387 0.881390 Nb\n0.798254 0.033781 0.647859 O\n0.966219 0.352141 0.201746 O\n0.569676 0.171119 0.260580 O\n0.647859 0.798254 0.033782 O\n0.033781 0.647858 0.798254 O\n0.739420 0.430323 0.828880 O\n0.828881 0.739420 0.430324 O\n0.430324 0.828880 0.739420 O\n0.260580 0.569676 0.171119 O\n0.171119 0.260579 0.569676 O\n0.201746 0.966218 0.352141 O\n0.352141 0.201745 0.966218 O\n",
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"volume": 269.1263632772061,
"volume_molar": 8.103584209411151,
"formula_full": "Ti2 Nb6 O12",
"formula_reduced": "TiNb3O6",
"formula_anonymous": "AB3C6",
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"spacegroup": 148
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{
"id": "jvasp-109135",
"created_at": "2022-09-04T14:37:57.887287Z",
"updated_at": "2022-09-04T14:37:57.887313Z",
"structure_string": "Ti1 Nb3 Al2 C2\n1.0\n3.113150 0.000000 0.000000\n-1.556575 2.696067 0.000000\n-0.000000 -0.000000 13.896161\nTi Nb Al C\n1 3 2 2\ndirect\n0.666666 0.333334 0.413749 Ti\n0.333333 0.666668 0.587660 Nb\n0.333333 0.666668 0.910054 Nb\n0.666666 0.333334 0.091410 Nb\n0.666666 0.333334 0.749047 Al\n0.333333 0.666668 0.252843 Al\n0.000000 0.000000 0.494382 C\n0.000000 0.000000 0.000855 C\n",
"nsites": 8,
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"elements": [
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"Al",
"C"
],
"chemical_system": "Al-C-Nb-Ti",
"density": 5.759938826047854,
"density_atomic": 0.06859057166633302,
"volume": 116.63410590768875,
"volume_molar": 8.779837539910615,
"formula_full": "Ti1 Nb3 Al2 C2",
"formula_reduced": "TiNb3(AlC)2",
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{
"id": "jvasp-117192",
"created_at": "2022-09-04T14:38:46.612152Z",
"updated_at": "2022-09-04T14:38:46.612171Z",
"structure_string": "Ti1 Nb2 Zn1 O8\n1.0\n5.756664 0.000000 0.000000\n0.000000 4.740111 0.128196\n-0.000000 0.006453 5.009123\nTi Nb Zn O\n1 2 1 8\ndirect\n0.170620 0.500000 0.500000 Ti\n0.808604 0.500000 0.000000 Nb\n0.314510 0.000000 -0.000000 Nb\n0.700520 -0.000000 0.500000 Zn\n0.901034 0.289206 0.684287 O\n0.608821 0.224690 0.161152 O\n0.608821 0.775309 0.838848 O\n0.901034 0.710794 0.315713 O\n0.117548 0.736078 0.818381 O\n0.375466 0.754509 0.320835 O\n0.375466 0.245490 0.679165 O\n0.117548 0.263921 0.181619 O\n",
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"formula_full": "Ti1 Nb2 Zn1 O8",
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{
"id": "jvasp-101088",
"created_at": "2022-09-04T14:36:44.607474Z",
"updated_at": "2022-09-04T14:36:44.607490Z",
"structure_string": "Ti1 Nb1\n1.0\n2.843435 -0.005278 0.000000\n-0.955253 2.678179 0.000000\n0.000000 -0.000000 4.598271\nTi Nb\n1 1\ndirect\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Nb\n",
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{
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"created_at": "2022-09-04T14:38:01.579618Z",
"updated_at": "2022-09-04T14:38:01.579643Z",
"structure_string": "Ti1 N1\n1.0\n2.636069 0.000000 -0.000000\n-0.000000 2.636069 0.000000\n0.000000 0.000000 2.636069\nTi N\n1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 N\n",
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"elements": [
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"formula_full": "Ti1 N1",
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},
{
"id": "jvasp-37011",
"created_at": "2022-09-04T14:38:03.795600Z",
"updated_at": "2022-09-04T14:38:03.795633Z",
"structure_string": "Ti1 N1\n1.0\n2.300416 2.300416 -0.000000\n2.300416 0.000000 -2.300416\n-0.000000 2.300416 -2.300416\nTi N\n1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.750001 0.750001 0.750001 N\n",
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"elements": [
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},
{
"id": "jvasp-114361",
"created_at": "2022-09-04T14:38:40.362244Z",
"updated_at": "2022-09-04T14:38:40.362269Z",
"structure_string": "Ti1 N1\n1.0\n2.850498 0.000000 0.000000\n-0.000000 2.850498 -0.000000\n-0.000000 0.000000 3.273488\nTi N\n1 1\ndirect\n0.500000 0.500000 0.000000 Ti\n0.000000 0.000000 0.000000 N\n",
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},
{
"id": "jvasp-116349",
"created_at": "2022-09-04T14:38:49.595274Z",
"updated_at": "2022-09-04T14:38:49.595296Z",
"structure_string": "Ti1 N1\n1.0\n5.291772 0.000000 0.000000\n0.000000 5.291772 0.000000\n0.000000 0.000000 8.466836\nTi N\n1 1\ndirect\n0.000000 0.000000 0.230541 Ti\n0.000000 0.000000 -0.077360 N\n",
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},
{
"id": "jvasp-14741",
"created_at": "2022-09-04T14:38:11.567679Z",
"updated_at": "2022-09-04T14:38:11.567734Z",
"structure_string": "Ti1 N1\n1.0\n2.604148 -0.000000 1.503505\n0.868050 2.455213 1.503505\n0.000000 0.000000 3.007010\nTi N\n1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500001 0.499999 0.500002 N\n",
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{
"id": "jvasp-35380",
"created_at": "2022-09-04T14:37:44.411687Z",
"updated_at": "2022-09-04T14:37:44.411713Z",
"structure_string": "Ti1 Mo2 S4\n1.0\n-0.000000 3.210549 0.000000\n0.103664 0.000000 6.010763\n5.982751 -1.605275 -2.704225\nTi Mo S\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Ti\n0.258597 0.314432 0.517192 Mo\n0.741404 0.685567 0.482807 Mo\n0.108783 0.444174 0.217565 S\n0.891219 0.555824 0.782434 S\n0.362623 0.028287 0.725242 S\n0.637379 0.971711 0.274757 S\n",
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"formula_full": "Ti1 Mo2 S4",
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"formula_anonymous": "AB2C4",
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{
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"created_at": "2022-09-04T14:36:54.250131Z",
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"structure_string": "Ti1 Mo2 S4\n1.0\n6.129597 -0.013948 2.719140\n5.283454 3.107613 2.719140\n0.004228 0.001146 6.015614\nTi Mo S\n1 2 4\ndirect\n0.742029 0.742027 0.318555 Ti\n0.258204 0.258205 0.684623 Mo\n0.001609 0.001611 0.993668 Mo\n0.895168 0.895166 0.442552 S\n0.104748 0.104749 0.557013 S\n0.637721 0.637719 0.028819 S\n0.360521 0.360522 0.974766 S\n",
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}