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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=4546",
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"results": [
{
"id": "jvasp-15849",
"created_at": "2022-09-04T14:38:29.785210Z",
"updated_at": "2022-09-04T14:38:29.785232Z",
"structure_string": "Ti2 Se2\n1.0\n1.727832 -2.992693 0.000000\n1.727832 2.992693 0.000000\n0.000000 -0.000000 6.886765\nTi Se\n2 2\ndirect\n0.666666 0.333333 0.750001 Ti\n0.333333 0.666666 0.250000 Ti\n0.000000 0.000000 0.500000 Se\n0.000000 0.000000 0.000000 Se\n",
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{
"id": "jvasp-94868",
"created_at": "2022-09-04T14:35:45.854537Z",
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"structure_string": "Ti3 Se4\n1.0\n-0.000000 3.553737 -0.000000\n0.009687 -0.000000 6.438358\n6.032487 -1.776869 -3.157226\nTi Se\n3 4\ndirect\n0.000000 0.000000 0.000000 Ti\n0.748238 0.708185 0.496475 Ti\n0.251763 0.291815 0.503526 Ti\n0.632723 0.964183 0.265445 Se\n0.367278 0.035817 0.734556 Se\n0.888118 0.550372 0.776235 Se\n0.111883 0.449628 0.223766 Se\n",
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"spacegroup": 12
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{
"id": "jvasp-332",
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"structure_string": "Ti2 Se2\n1.0\n1.727832 -2.992693 0.000000\n1.727832 2.992693 0.000000\n0.000000 0.000000 6.886765\nTi Se\n2 2\ndirect\n0.666666 0.333333 0.750001 Ti\n0.333333 0.666666 0.250000 Ti\n0.000000 0.000000 0.500000 Se\n0.000000 0.000000 0.000000 Se\n",
"nsites": 4,
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"spacegroup": 194
},
{
"id": "jvasp-16651",
"created_at": "2022-09-04T14:37:57.428553Z",
"updated_at": "2022-09-04T14:37:57.428569Z",
"structure_string": "Ti5 Se4\n1.0\n3.389435 0.000000 0.869274\n1.694717 6.859177 0.434637\n-0.009279 -0.000000 7.078785\nTi Se\n5 4\ndirect\n0.000000 0.000000 0.000000 Ti\n0.306772 0.065217 0.321238 Ti\n0.628010 0.678762 0.065217 Ti\n0.371989 0.321238 0.934783 Ti\n0.693227 0.934783 0.678762 Ti\n0.057392 0.215543 0.669673 Se\n0.727063 0.330328 0.215543 Se\n0.272936 0.669673 0.784458 Se\n0.942607 0.784457 0.330328 Se\n",
"nsites": 9,
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"elements": [
"Ti",
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"chemical_system": "Se-Ti",
"density": 5.599831775019798,
"density_atomic": 0.05466866785037049,
"volume": 164.62811979675863,
"volume_molar": 11.01570789411359,
"formula_full": "Ti5 Se4",
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"formula_anonymous": "A4B5",
"energy_above_hull": 3.1283383481481484,
"spacegroup": 87
},
{
"id": "jvasp-108064",
"created_at": "2022-09-04T14:35:53.272160Z",
"updated_at": "2022-09-04T14:35:53.272185Z",
"structure_string": "Ti3 Se1\n1.0\n3.200137 0.000000 0.000000\n-1.600068 2.771400 0.000000\n0.000000 0.000000 7.895255\nTi Se\n3 1\ndirect\n0.666667 0.333333 0.229995 Ti\n0.666667 0.333333 0.770005 Ti\n0.000000 0.000000 0.500000 Ti\n0.333333 0.666667 -0.000000 Se\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Se-Ti",
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"density_atomic": 0.057124978047241114,
"volume": 70.02190874702984,
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"formula_full": "Ti3 Se1",
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"formula_anonymous": "AB3",
"energy_above_hull": 3.095994591666667,
"spacegroup": 187
},
{
"id": "jvasp-326",
"created_at": "2022-09-04T14:37:10.840779Z",
"updated_at": "2022-09-04T14:37:10.840790Z",
"structure_string": "Ti1 Se2\n1.0\n1.773843 -3.072387 0.000000\n1.773843 3.072387 0.000000\n0.000000 0.000000 6.069541\nTi Se\n1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.333332 0.666666 0.253579 Se\n0.666666 0.333332 0.746421 Se\n",
"nsites": 3,
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"elements": [
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"volume": 66.1571735454107,
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{
"id": "jvasp-329",
"created_at": "2022-09-04T14:36:17.011807Z",
"updated_at": "2022-09-04T14:36:17.011838Z",
"structure_string": "Ti2 Se2\n1.0\n4.165753 0.000000 0.000000\n0.000000 4.165753 0.000000\n0.000000 0.000000 5.429124\nTi Se\n2 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.000000 Ti\n0.000000 0.500000 0.265607 Se\n0.500000 0.000000 0.734392 Se\n",
"nsites": 4,
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"elements": [
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"density": 4.4706844784091,
"density_atomic": 0.04245640318202091,
"volume": 94.2142927852609,
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"formula_full": "Ti2 Se2",
"formula_reduced": "TiSe",
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"spacegroup": 129
},
{
"id": "jvasp-90497",
"created_at": "2022-09-04T14:36:14.438299Z",
"updated_at": "2022-09-04T14:36:14.438315Z",
"structure_string": "Ti4 Se4\n1.0\n3.492616 0.000000 0.000000\n-0.000000 6.255603 0.000000\n0.000000 0.000000 6.468971\nTi Se\n4 4\ndirect\n0.250000 0.693518 0.506474 Ti\n0.250000 0.806482 0.006474 Ti\n0.750001 0.306482 0.493526 Ti\n0.750001 0.193518 0.993526 Ti\n0.750001 0.919141 0.283658 Se\n0.250000 0.080859 0.716342 Se\n0.250000 0.419141 0.216342 Se\n0.750001 0.580859 0.783658 Se\n",
"nsites": 8,
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"elements": [
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"density": 5.96026522464673,
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"volume": 141.33678973130642,
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"formula_full": "Ti4 Se4",
"formula_reduced": "TiSe",
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"energy_above_hull": 1.1590408499999998,
"spacegroup": 62
},
{
"id": "jvasp-91592",
"created_at": "2022-09-04T14:36:12.035114Z",
"updated_at": "2022-09-04T14:36:12.035135Z",
"structure_string": "Ti4 Se4\n1.0\n-1.793557 -3.106532 0.000000\n1.793557 -3.106532 0.000000\n-0.000000 -2.071021 12.851041\nTi Se\n4 4\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Ti\n0.084307 0.084307 0.747079 Ti\n0.915692 0.915692 0.252921 Ti\n0.208089 0.208089 0.375730 Se\n0.791910 0.791910 0.624270 Se\n0.375234 0.375234 0.874296 Se\n0.624765 0.624765 0.125704 Se\n",
"nsites": 8,
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"spacegroup": 166
},
{
"id": "jvasp-20616",
"created_at": "2022-09-04T14:38:14.531426Z",
"updated_at": "2022-09-04T14:38:14.531442Z",
"structure_string": "Ti1 Se2\n1.0\n1.773843 -3.072387 -0.000000\n1.773843 3.072387 0.000000\n0.000000 -0.000000 6.069541\nTi Se\n1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.333332 0.666666 0.253579 Se\n0.666666 0.333332 0.746421 Se\n",
"nsites": 3,
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"elements": [
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"volume": 66.1571735454107,
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},
{
"id": "jvasp-87039",
"created_at": "2022-09-04T14:35:42.820666Z",
"updated_at": "2022-09-04T14:35:42.820698Z",
"structure_string": "Ti5 Tl1 Se8\n1.0\n3.518450 0.000000 -0.671603\n-0.419659 8.902946 -2.198543\n0.005971 -0.008909 9.583449\nTi Tl Se\n5 1 8\ndirect\n0.500000 0.500000 0.000000 Ti\n0.153273 0.496029 0.306547 Ti\n0.208631 0.849783 0.417263 Ti\n0.791368 0.150217 0.582738 Ti\n0.846726 0.503972 0.693454 Ti\n0.000000 0.000000 0.000000 Tl\n0.926754 0.322846 0.853508 Se\n0.339408 -0.000279 0.678817 Se\n0.660591 0.000279 0.321183 Se\n0.741867 0.662485 0.483737 Se\n0.258132 0.337516 0.516264 Se\n0.413698 0.681795 0.827398 Se\n0.586301 0.318206 0.172603 Se\n0.073247 0.677154 0.146493 Se\n",
"nsites": 14,
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{
"id": "jvasp-29327",
"created_at": "2022-09-04T14:37:04.259622Z",
"updated_at": "2022-09-04T14:37:04.259649Z",
"structure_string": "Ti4 Tl16 Se16\n1.0\n8.503971 0.000000 0.000000\n0.000000 8.374029 -2.029812\n0.000000 -0.041417 15.833034\nTi Tl Se\n4 16 16\ndirect\n0.388127 0.207825 0.877340 Ti\n0.611873 0.792175 0.122660 Ti\n0.111873 0.207825 0.377340 Ti\n0.888126 0.792175 0.622660 Ti\n-0.001980 0.968599 0.873941 Tl\n0.498020 0.031400 0.626058 Tl\n0.001980 0.031400 0.126059 Tl\n0.501979 0.968600 0.373941 Tl\n0.177354 0.598329 0.889408 Tl\n0.677354 0.401670 0.610592 Tl\n0.707904 0.390352 0.360361 Tl\n0.322646 0.598329 0.389408 Tl\n0.606171 0.807768 0.870852 Tl\n0.106171 0.192232 0.629148 Tl\n0.393829 0.192232 0.129148 Tl\n0.893829 0.807768 0.370852 Tl\n0.792096 0.390352 0.860360 Tl\n0.292096 0.609648 0.639639 Tl\n0.207904 0.609648 0.139639 Tl\n0.822646 0.401671 0.110592 Tl\n0.324960 0.950518 0.784791 Se\n0.824960 0.049481 0.715209 Se\n0.553469 0.605024 0.208863 Se\n0.053469 0.394976 0.291137 Se\n0.446531 0.394975 0.791137 Se\n0.946531 0.605024 0.708863 Se\n0.836895 0.703636 0.033278 Se\n0.385055 0.823495 0.036875 Se\n0.163105 0.296364 0.966722 Se\n0.663105 0.703636 0.533277 Se\n0.885055 0.176505 0.463125 Se\n0.614945 0.176505 0.963125 Se\n0.114945 0.823495 0.536875 Se\n0.175040 0.950518 0.284791 Se\n0.336895 0.296364 0.466722 Se\n0.675040 0.049482 0.215209 Se\n",
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"elements": [
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"formula_full": "Ti4 Tl16 Se16",
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}