HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=structure_string&page=4059",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=structure_string&page=4057",
"results": [
{
"id": "jvasp-79265",
"created_at": "2022-09-04T14:36:40.556651Z",
"updated_at": "2022-09-04T14:36:40.556676Z",
"structure_string": "Ti2 Se2\n1.0\n3.443290 -0.000000 -0.000000\n-1.721646 2.981977 0.000000\n-0.000000 0.000000 6.767042\nTi Se\n2 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.000000 0.500000 Ti\n0.333332 0.666668 0.250000 Se\n0.666667 0.333333 0.750000 Se\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"Se"
],
"chemical_system": "Se-Ti",
"density": 6.061973731667862,
"density_atomic": 0.057568276641633165,
"volume": 69.48271223924766,
"volume_molar": 10.460866837283106,
"formula_full": "Ti2 Se2",
"formula_reduced": "TiSe",
"formula_anonymous": "AB",
"energy_above_hull": 1.17488085,
"spacegroup": 194
},
{
"id": "jvasp-17184",
"created_at": "2022-09-04T14:37:41.971177Z",
"updated_at": "2022-09-04T14:37:41.971187Z",
"structure_string": "Ti2 Se2\n1.0\n4.165753 0.000000 0.000000\n-0.000000 4.165753 0.000000\n-0.000000 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,
"nelements": 2,
"elements": [
"Ti",
"Se"
],
"chemical_system": "Se-Ti",
"density": 4.4706844784091,
"density_atomic": 0.04245640318202091,
"volume": 94.2142927852609,
"volume_molar": 14.184293318917339,
"formula_full": "Ti2 Se2",
"formula_reduced": "TiSe",
"formula_anonymous": "AB",
"energy_above_hull": 1.3167458499999998,
"spacegroup": 129
},
{
"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,
"nelements": 2,
"elements": [
"Ti",
"Se"
],
"chemical_system": "Se-Ti",
"density": 4.4706844784091,
"density_atomic": 0.04245640318202091,
"volume": 94.2142927852609,
"volume_molar": 14.184293318917339,
"formula_full": "Ti2 Se2",
"formula_reduced": "TiSe",
"formula_anonymous": "AB",
"energy_above_hull": 1.3167458499999998,
"spacegroup": 129
},
{
"id": "jvasp-13009",
"created_at": "2022-09-04T14:37:02.256807Z",
"updated_at": "2022-09-04T14:37:02.256833Z",
"structure_string": "Ti2 Se4 O12\n1.0\n0.000000 4.777029 -0.094528\n8.375137 0.000000 0.000000\n0.000000 -2.410280 -6.310055\nTi Se O\n2 4 12\ndirect\n0.500000 0.500000 0.500001 Ti\n0.500000 0.000000 0.000000 Ti\n0.126514 0.641391 0.828462 Se\n0.873487 0.141391 0.671539 Se\n0.873487 0.358609 0.171539 Se\n0.126514 0.858610 0.328462 Se\n0.239756 0.838607 0.830429 O\n0.760245 0.338607 0.669573 O\n0.760244 0.161393 0.169572 O\n0.239756 0.661393 0.330428 O\n0.394110 0.547179 0.753560 O\n0.829839 0.843263 0.095060 O\n0.170161 0.343263 0.404941 O\n0.605891 0.452822 0.246441 O\n0.829839 0.656737 0.595060 O\n0.170162 0.156737 0.904941 O\n0.605891 0.047179 0.746441 O\n0.394110 0.952822 0.253560 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ti",
"Se",
"O"
],
"chemical_system": "O-Se-Ti",
"density": 3.9402267652377434,
"density_atomic": 0.07076512556125732,
"volume": 254.36258124658355,
"volume_molar": 8.510040379688125,
"formula_full": "Ti2 Se4 O12",
"formula_reduced": "Ti(SeO3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.591625118518519,
"spacegroup": 14
},
{
"id": "jvasp-36225",
"created_at": "2022-09-04T14:36:49.032749Z",
"updated_at": "2022-09-04T14:36:49.032768Z",
"structure_string": "Ti2 Si1\n1.0\n3.067773 3.067773 0.000000\n3.067773 0.000000 -3.067773\n0.000000 3.067773 -3.067773\nTi Si\n2 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.749999 0.749999 0.749999 Ti\n0.250000 0.250000 0.250000 Si\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ti",
"Si"
],
"chemical_system": "Si-Ti",
"density": 3.5607254221672573,
"density_atomic": 0.05195431181860359,
"volume": 57.743041818634424,
"volume_molar": 11.591224191412763,
"formula_full": "Ti2 Si1",
"formula_reduced": "Ti2Si",
"formula_anonymous": "AB2",
"energy_above_hull": 3.287428422222222,
"spacegroup": 216
},
{
"id": "jvasp-79554",
"created_at": "2022-09-04T14:38:01.731367Z",
"updated_at": "2022-09-04T14:38:01.731385Z",
"structure_string": "Ti2 Si2\n1.0\n3.642692 0.000000 -0.000000\n1.821345 -3.830014 2.120398\n1.821345 -3.830014 -2.120398\nTi Si\n2 2\ndirect\n0.000002 0.050772 0.949227 Ti\n0.500002 0.550773 0.449226 Ti\n0.749994 0.800735 0.699281 Si\n0.250009 0.300718 0.199264 Si\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"Si"
],
"chemical_system": "Si-Ti",
"density": 4.263349842434278,
"density_atomic": 0.06760670911197288,
"volume": 59.16572559943783,
"volume_molar": 8.90760819318375,
"formula_full": "Ti2 Si2",
"formula_reduced": "TiSi",
"formula_anonymous": "AB",
"energy_above_hull": 2.087988466666666,
"spacegroup": 65
},
{
"id": "jvasp-14102",
"created_at": "2022-09-04T14:37:19.880092Z",
"updated_at": "2022-09-04T14:37:19.880113Z",
"structure_string": "Ti2 Si2\n1.0\n-3.642767 0.000000 0.000000\n-1.821383 -3.830066 -2.120275\n-1.821383 -3.830066 2.120275\nTi Si\n2 2\ndirect\n0.499999 0.449262 0.550739 Ti\n-0.000001 0.949274 0.050727 Ti\n0.750000 0.699232 0.800767 Si\n0.249998 0.199234 0.300769 Si\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"Si"
],
"chemical_system": "Si-Ti",
"density": 4.2634514982003555,
"density_atomic": 0.06760832113351949,
"volume": 59.16431487923522,
"volume_molar": 8.907395804292923,
"formula_full": "Ti2 Si2",
"formula_reduced": "TiSi",
"formula_anonymous": "AB",
"energy_above_hull": 2.088028466666666,
"spacegroup": 65
},
{
"id": "jvasp-18243",
"created_at": "2022-09-04T14:38:08.969589Z",
"updated_at": "2022-09-04T14:38:08.969604Z",
"structure_string": "Ti2 Si2\n1.0\n-3.642767 0.000000 0.000000\n-1.821383 -3.830066 -2.120275\n-1.821383 -3.830066 2.120275\nTi Si\n2 2\ndirect\n0.499999 0.449262 0.550739 Ti\n-0.000001 0.949274 0.050727 Ti\n0.750000 0.699232 0.800767 Si\n0.249998 0.199234 0.300769 Si\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"Si"
],
"chemical_system": "Si-Ti",
"density": 4.2634514982003555,
"density_atomic": 0.06760832113351949,
"volume": 59.16431487923522,
"volume_molar": 8.907395804292923,
"formula_full": "Ti2 Si2",
"formula_reduced": "TiSi",
"formula_anonymous": "AB",
"energy_above_hull": 2.088028466666666,
"spacegroup": 65
},
{
"id": "jvasp-95036",
"created_at": "2022-09-04T14:36:04.186917Z",
"updated_at": "2022-09-04T14:36:04.186944Z",
"structure_string": "Ti2 Si4\n1.0\n-3.560564 -0.000000 0.000000\n0.000000 0.000000 -3.594608\n1.780281 -6.876605 0.000000\nTi Si\n2 4\ndirect\n0.895947 0.750000 0.791895 Ti\n0.104053 0.250000 0.208106 Ti\n0.558312 0.750000 0.116625 Si\n0.441687 0.250000 0.883376 Si\n0.249839 0.750000 0.499679 Si\n0.750161 0.250000 0.500322 Si\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ti",
"Si"
],
"chemical_system": "Si-Ti",
"density": 3.925786491339663,
"density_atomic": 0.06817212610601132,
"volume": 88.01251101762145,
"volume_molar": 8.833728833152787,
"formula_full": "Ti2 Si4",
"formula_reduced": "TiSi2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.8302051777777777,
"spacegroup": 63
},
{
"id": "jvasp-14968",
"created_at": "2022-09-04T14:36:15.411771Z",
"updated_at": "2022-09-04T14:36:15.411799Z",
"structure_string": "Ti2 Si4\n1.0\n4.676382 -0.000653 -1.185266\n-2.768735 3.768641 -1.185266\n-0.003973 -0.007847 4.931802\nTi Si\n2 4\ndirect\n0.875000 0.125000 0.249999 Ti\n0.125001 0.874999 0.749999 Ti\n0.538974 0.461027 0.249999 Si\n0.211027 0.788973 0.249999 Si\n0.788974 0.211027 0.749999 Si\n0.461027 0.538973 0.749999 Si\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ti",
"Si"
],
"chemical_system": "Si-Ti",
"density": 3.979698899233428,
"density_atomic": 0.0691083266553077,
"volume": 86.82021820505453,
"volume_molar": 8.714059580745882,
"formula_full": "Ti2 Si4",
"formula_reduced": "TiSi2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.8391718444444445,
"spacegroup": 70
},
{
"id": "jvasp-12680",
"created_at": "2022-09-04T14:36:52.325445Z",
"updated_at": "2022-09-04T14:36:52.325458Z",
"structure_string": "Ti2 Si4 O12\n1.0\n6.327398 0.018657 -1.655214\n-0.245640 6.322655 1.655214\n-0.000164 0.000158 5.354514\nTi Si O\n2 4 12\ndirect\n0.893116 0.893116 0.250000 Ti\n0.106885 0.106885 0.749999 Ti\n0.785688 0.382612 0.246804 Si\n0.617389 0.214313 0.746804 Si\n0.382612 0.785689 0.253195 Si\n0.214313 0.617389 0.753195 Si\n0.954207 0.186633 0.365390 O\n0.813369 0.045794 0.865390 O\n0.898745 0.619134 0.222070 O\n0.045794 0.813369 0.634609 O\n0.649848 0.366557 0.953125 O\n0.350154 0.633444 0.046874 O\n0.619134 0.898745 0.277929 O\n0.366557 0.649847 0.546874 O\n0.101256 0.380867 0.777929 O\n0.186632 0.954207 0.134609 O\n0.380867 0.101256 0.722070 O\n0.633444 0.350154 0.453125 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ti",
"Si",
"O"
],
"chemical_system": "O-Si-Ti",
"density": 3.100959189202729,
"density_atomic": 0.08402040579701794,
"volume": 214.23367132367332,
"volume_molar": 7.167474023570756,
"formula_full": "Ti2 Si4 O12",
"formula_reduced": "Ti(SiO3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.89488517037037,
"spacegroup": 15
},
{
"id": "jvasp-99920",
"created_at": "2022-09-04T14:36:45.459618Z",
"updated_at": "2022-09-04T14:36:45.459651Z",
"structure_string": "Ti2 Si6 Mo1\n1.0\n4.748734 0.000684 0.000000\n-2.381744 4.108256 0.000000\n0.000000 0.000000 6.550207\nTi Si Mo\n2 6 1\ndirect\n0.499999 -0.000001 0.665952 Ti\n0.000001 0.500000 0.334049 Ti\n0.166705 0.833297 0.000000 Si\n0.157173 0.317256 0.667494 Si\n0.682744 0.842827 0.332506 Si\n0.833296 0.166703 0.000000 Si\n0.842827 0.682744 0.667494 Si\n0.317256 0.157173 0.332506 Si\n0.500000 0.500000 0.000000 Mo\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ti",
"Si",
"Mo"
],
"chemical_system": "Mo-Si-Ti",
"density": 4.680050083508524,
"density_atomic": 0.07042321999081048,
"volume": 127.7987573015606,
"volume_molar": 8.551356726923062,
"formula_full": "Ti2 Si6 Mo1",
"formula_reduced": "Ti2Si6Mo",
"formula_anonymous": "AB2C6",
"energy_above_hull": 4.2188715740740745,
"spacegroup": 21
}
]
}