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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=4340",
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"results": [
{
"id": "jvasp-20131",
"created_at": "2022-09-04T14:37:42.419316Z",
"updated_at": "2022-09-04T14:37:42.419327Z",
"structure_string": "Ti5 O5\n1.0\n4.159835 -0.000000 0.000000\n-2.079917 4.455952 -1.394619\n0.000000 0.010686 5.840080\nTi O\n5 5\ndirect\n0.648158 0.296314 0.325778 Ti\n0.351842 0.703686 0.674222 Ti\n0.662081 0.324163 0.827388 Ti\n0.337919 0.675838 0.172612 Ti\n0.000000 0.000000 0.500000 Ti\n0.500001 0.000000 -0.000000 O\n0.827705 0.655409 0.169683 O\n0.172296 0.344592 0.830317 O\n0.827880 0.655761 0.654931 O\n0.172120 0.344240 0.345069 O\n",
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{
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{
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"structure_string": "Ti4 O6\n1.0\n4.564290 0.050898 3.101500\n1.668921 4.248534 3.101500\n0.073791 0.050898 5.517844\nTi O\n4 6\ndirect\n0.346045 0.346045 0.346045 Ti\n0.153955 0.153955 0.153955 Ti\n0.653954 0.653955 0.653954 Ti\n0.846045 0.846045 0.846045 Ti\n0.562305 0.937694 0.250000 O\n0.250000 0.562305 0.937694 O\n0.937694 0.250000 0.562305 O\n0.437694 0.062306 0.749999 O\n0.750000 0.437695 0.062305 O\n0.062305 0.749999 0.437695 O\n",
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"spacegroup": 167
},
{
"id": "jvasp-36222",
"created_at": "2022-09-04T14:36:42.148192Z",
"updated_at": "2022-09-04T14:36:42.148220Z",
"structure_string": "Ti1 O2\n1.0\n2.413397 2.413397 -0.000000\n2.413397 -0.000000 -2.413397\n0.000000 2.413397 -2.413397\nTi O\n1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.250000 0.250000 0.250000 O\n0.750001 0.750001 0.750001 O\n",
"nsites": 3,
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"elements": [
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"volume": 28.113589635346234,
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"spacegroup": 225
},
{
"id": "jvasp-105583",
"created_at": "2022-09-04T14:36:47.116737Z",
"updated_at": "2022-09-04T14:36:47.116756Z",
"structure_string": "Ti1 O2\n1.0\n2.748918 -0.072228 3.908126\n1.183962 2.481935 3.908126\n-0.117884 -0.072228 4.776620\nTi O\n1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.261319 0.261317 0.261319 O\n0.738684 0.738680 0.738683 O\n",
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"elements": [
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"volume": 34.6160789690123,
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"formula_full": "Ti1 O2",
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"spacegroup": 166
},
{
"id": "jvasp-308",
"created_at": "2022-09-04T14:36:43.569462Z",
"updated_at": "2022-09-04T14:36:43.569483Z",
"structure_string": "Ti1 O2\n1.0\n2.749434 -0.075526 3.932156\n1.183018 2.483054 3.932156\n-0.123365 -0.075526 4.796459\nTi O\n1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.261740 0.261736 0.261739 O\n0.738266 0.738258 0.738264 O\n",
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"elements": [
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{
"id": "jvasp-15004",
"created_at": "2022-09-04T14:36:18.049169Z",
"updated_at": "2022-09-04T14:36:18.049191Z",
"structure_string": "Ti1 O1\n1.0\n2.621745 -0.000000 1.513665\n0.873915 2.471805 1.513665\n0.000000 0.000000 3.027329\nTi O\n1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.499998 0.499999 0.500000 O\n",
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"elements": [
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{
"id": "jvasp-42549",
"created_at": "2022-09-04T14:36:18.152376Z",
"updated_at": "2022-09-04T14:36:18.152406Z",
"structure_string": "Ti8 O16\n1.0\n3.023061 -0.000962 -0.004386\n0.003765 9.744306 0.000079\n0.013361 0.000224 9.373368\nTi O\n8 16\ndirect\n0.250133 -0.025219 0.152136 Ti\n0.750101 0.201217 0.401296 Ti\n0.250131 0.298111 0.901292 Ti\n0.750122 0.524548 0.652136 Ti\n0.250137 0.474782 0.345488 Ti\n0.750109 0.701220 0.096325 Ti\n0.250145 0.798112 0.596326 Ti\n0.750126 0.024551 0.845481 Ti\n0.250150 0.801381 0.220932 O\n0.750116 0.859648 0.503906 O\n0.250136 0.639693 0.003900 O\n0.750113 0.697947 0.720929 O\n0.750120 0.559425 0.251721 O\n0.250122 0.603953 0.521605 O\n0.750135 0.395378 0.476018 O\n0.250134 0.139679 0.493715 O\n0.250150 0.301385 0.276695 O\n0.750111 0.359637 -0.006279 O\n0.250137 0.939908 0.751720 O\n0.750115 0.197953 0.776685 O\n0.750120 0.059425 0.245898 O\n0.250119 0.103949 0.976007 O\n0.250136 0.439908 0.745901 O\n0.750137 0.895383 0.021612 O\n",
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"density": 3.842425778066097,
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"volume": 276.1178248226523,
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"formula_full": "Ti8 O16",
"formula_reduced": "TiO2",
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"spacegroup": 62
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{
"id": "jvasp-90247",
"created_at": "2022-09-04T14:35:53.163107Z",
"updated_at": "2022-09-04T14:35:53.163126Z",
"structure_string": "Ti3 O6\n1.0\n0.000000 0.000000 -3.112774\n-2.661122 -4.609198 0.000000\n-2.661295 4.609298 0.000000\nTi O\n3 6\ndirect\n0.499999 0.333313 0.666670 Ti\n0.499999 0.666643 0.333330 Ti\n0.000000 0.999987 -0.000001 Ti\n0.499999 0.262305 -0.000000 O\n0.499999 0.737660 0.737673 O\n0.499999 0.999987 0.262327 O\n0.000000 0.600482 -0.000000 O\n0.000000 0.399509 0.399492 O\n0.000000 0.000017 0.600509 O\n",
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"volume": 76.3636298116053,
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"formula_full": "Ti3 O6",
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"spacegroup": 189
},
{
"id": "jvasp-10914",
"created_at": "2022-09-04T14:37:16.779790Z",
"updated_at": "2022-09-04T14:37:16.779811Z",
"structure_string": "Ti4 O8\n1.0\n5.145948 -0.000000 2.971014\n1.715316 4.851646 2.971014\n0.000000 0.000000 5.942029\nTi O\n4 8\ndirect\n0.500000 0.500000 0.499999 Ti\n0.500000 0.500000 -0.000001 Ti\n0.000000 0.500000 0.499999 Ti\n0.500000 -0.000000 0.500000 Ti\n0.265228 0.265228 0.265227 O\n0.734773 0.734773 0.295681 O\n0.295683 0.734773 0.734771 O\n0.734773 0.295683 0.734772 O\n0.704317 0.265228 0.265227 O\n0.265228 0.704318 0.265227 O\n0.265228 0.265228 0.704317 O\n0.734773 0.734773 0.734771 O\n",
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"spacegroup": 227
},
{
"id": "jvasp-10490",
"created_at": "2022-09-04T14:37:11.481715Z",
"updated_at": "2022-09-04T14:37:11.481728Z",
"structure_string": "Ti4 O8\n1.0\n2.978182 -0.000000 0.000000\n-0.000000 4.896035 0.000000\n0.000000 0.000000 9.400301\nTi O\n4 8\ndirect\n0.250000 0.603279 0.635146 Ti\n0.749999 0.396722 0.364854 Ti\n0.749999 0.103279 0.864854 Ti\n0.250000 0.896722 0.135146 Ti\n0.250000 0.286567 0.478991 O\n0.749999 0.713434 0.521009 O\n0.749999 0.786567 0.021009 O\n0.250000 0.213434 0.978990 O\n0.250000 0.601352 0.261578 O\n0.749999 0.398649 0.738422 O\n0.749999 0.101352 0.238422 O\n0.250000 0.898649 0.761578 O\n",
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"formula_full": "Ti4 O8",
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"spacegroup": 62
},
{
"id": "jvasp-10036",
"created_at": "2022-09-04T14:37:11.093916Z",
"updated_at": "2022-09-04T14:37:11.093930Z",
"structure_string": "Ti4 O8\n1.0\n5.439915 -0.641479 0.535410\n2.164420 5.031844 0.535410\n2.971939 1.715850 4.853156\nTi O\n4 8\ndirect\n0.124983 0.124983 0.875018 Ti\n0.125017 0.125017 0.374983 Ti\n0.625001 0.624999 0.125000 Ti\n0.625001 0.624999 0.625001 Ti\n0.320757 0.320756 0.429286 O\n0.429284 0.820789 0.374964 O\n0.320757 0.320756 0.929203 O\n0.820791 0.429283 0.374964 O\n0.429210 0.820716 0.875037 O\n0.820718 0.429209 0.875037 O\n0.929244 0.929242 0.320798 O\n0.929244 0.929242 0.820715 O\n",
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}
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}