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=chemical_system&page=4599",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=4597",
"results": [
{
"id": "jvasp-99921",
"created_at": "2022-09-04T14:36:46.414556Z",
"updated_at": "2022-09-04T14:36:46.414581Z",
"structure_string": "Th1 U1 S2\n1.0\n3.978687 -0.000000 -0.000000\n-0.000000 3.978687 0.000000\n-0.000000 0.000000 5.639964\nTh U S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Th\n0.500000 0.500000 0.500000 U\n0.000000 0.000000 0.500000 S\n0.500000 0.500000 0.000000 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Th",
"U",
"S"
],
"chemical_system": "S-Th-U",
"density": 9.935612292450099,
"density_atomic": 0.04480269199774609,
"volume": 89.28034949777637,
"volume_molar": 13.441470794440116,
"formula_full": "Th1 U1 S2",
"formula_reduced": "ThUS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.8613504,
"spacegroup": 123
},
{
"id": "jvasp-36221",
"created_at": "2022-09-04T14:37:02.394577Z",
"updated_at": "2022-09-04T14:37:02.394606Z",
"structure_string": "Ti1 S2\n1.0\n2.164291 -3.748662 -0.000000\n2.164291 3.748662 0.000000\n-0.000000 0.000000 2.954763\nTi S\n1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.666667 0.333333 0.499999 S\n0.333333 0.666667 0.499999 S\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ti",
"S"
],
"chemical_system": "S-Ti",
"density": 3.87892070908852,
"density_atomic": 0.06257151490240612,
"volume": 47.945139328641034,
"volume_molar": 9.624412593162939,
"formula_full": "Ti1 S2",
"formula_reduced": "TiS2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.223992777777778,
"spacegroup": 191
},
{
"id": "jvasp-109430",
"created_at": "2022-09-04T14:38:16.114467Z",
"updated_at": "2022-09-04T14:38:16.114495Z",
"structure_string": "Ti4 S6\n1.0\n5.867336 -0.002959 0.972796\n-3.172834 4.935460 0.972796\n-0.000810 -0.001482 6.028293\nTi S\n4 6\ndirect\n0.672791 0.327209 0.000001 Ti\n0.327210 0.672790 0.000001 Ti\n0.000000 0.000000 0.000000 Ti\n0.500001 0.500000 0.500000 Ti\n0.418062 0.081538 0.741558 S\n0.081539 0.418062 0.741558 S\n0.750740 0.750739 0.752042 S\n0.581939 0.918462 0.258442 S\n0.249261 0.249261 0.247959 S\n0.918463 0.581938 0.258442 S\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Ti",
"S"
],
"chemical_system": "S-Ti",
"density": 3.652207577052319,
"density_atomic": 0.05729751137490507,
"volume": 174.52764980609192,
"volume_molar": 10.510300736442723,
"formula_full": "Ti4 S6",
"formula_reduced": "Ti2S3",
"formula_anonymous": "A2B3",
"energy_above_hull": 2.531429333333333,
"spacegroup": 12
},
{
"id": "jvasp-14772",
"created_at": "2022-09-04T14:38:11.273542Z",
"updated_at": "2022-09-04T14:38:11.273569Z",
"structure_string": "Ti2 S2\n1.0\n1.667649 -2.888453 0.000000\n1.667649 2.888453 -0.000000\n0.000000 -0.000000 6.391636\nTi S\n2 2\ndirect\n0.333333 0.666667 0.250000 Ti\n0.666667 0.333333 0.750000 Ti\n0.000000 0.000000 0.000000 S\n0.000000 0.000000 0.500000 S\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"S"
],
"chemical_system": "S-Ti",
"density": 4.311096957801611,
"density_atomic": 0.06496029805049545,
"volume": 61.57607215549855,
"volume_molar": 9.270494349208223,
"formula_full": "Ti2 S2",
"formula_reduced": "TiS",
"formula_anonymous": "AB",
"energy_above_hull": 1.2491241666666668,
"spacegroup": 194
},
{
"id": "jvasp-10740",
"created_at": "2022-09-04T14:38:11.351524Z",
"updated_at": "2022-09-04T14:38:11.351556Z",
"structure_string": "Ti4 S8\n1.0\n6.906545 0.002412 -0.001146\n-0.002157 6.906543 -0.000249\n-3.451527 -3.454449 4.884872\nTi S\n4 8\ndirect\n-0.000000 0.500053 0.499928 Ti\n0.000074 0.499972 0.999901 Ti\n0.000062 0.000115 0.500062 Ti\n0.500163 0.500069 0.000087 Ti\n0.246670 0.748839 0.497783 S\n0.751092 0.253330 0.002288 S\n0.751053 0.748893 0.002243 S\n0.751044 0.748815 0.497690 S\n0.248883 0.251064 0.502233 S\n0.248806 0.251055 -0.002297 S\n0.248816 0.746670 -0.002228 S\n0.753330 0.251115 0.502299 S\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ti",
"S"
],
"chemical_system": "S-Ti",
"density": 3.193027679668163,
"density_atomic": 0.05150726040210797,
"volume": 232.97686396671355,
"volume_molar": 11.691828905257674,
"formula_full": "Ti4 S8",
"formula_reduced": "TiS2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.7878761111111112,
"spacegroup": 227
},
{
"id": "jvasp-28349",
"created_at": "2022-09-04T14:37:40.482553Z",
"updated_at": "2022-09-04T14:37:40.482568Z",
"structure_string": "Ti1 S2\n1.0\n3.115409 0.000000 -0.000000\n0.000000 3.115409 -0.000000\n-1.557705 -1.557705 5.080424\nTi S\n1 2\ndirect\n0.500000 0.500000 0.000000 Ti\n0.866675 0.866675 0.733347 S\n0.133326 0.133326 0.266652 S\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ti",
"S"
],
"chemical_system": "S-Ti",
"density": 3.7715979216398052,
"density_atomic": 0.06084027317362301,
"volume": 49.309443293240086,
"volume_molar": 9.898280276970992,
"formula_full": "Ti1 S2",
"formula_reduced": "TiS2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.9327694444444443,
"spacegroup": 139
},
{
"id": "jvasp-35689",
"created_at": "2022-09-04T14:37:11.590940Z",
"updated_at": "2022-09-04T14:37:11.590971Z",
"structure_string": "Ti1 S1\n1.0\n1.637808 -2.836766 -0.000000\n1.637808 2.836766 0.000000\n-0.000000 -0.000000 3.224504\nTi S\n1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.333333 0.666668 0.499999 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ti",
"S"
],
"chemical_system": "S-Ti",
"density": 4.4298636636483035,
"density_atomic": 0.06674989375799048,
"volume": 29.96259450616106,
"volume_molar": 9.02194808254523,
"formula_full": "Ti1 S1",
"formula_reduced": "TiS",
"formula_anonymous": "AB",
"energy_above_hull": 1.119639166666667,
"spacegroup": 187
},
{
"id": "jvasp-320",
"created_at": "2022-09-04T14:36:18.297096Z",
"updated_at": "2022-09-04T14:36:18.297117Z",
"structure_string": "Ti1 S2\n1.0\n6.522114 -0.454220 -0.269025\n5.862884 2.893245 -0.269025\n5.862884 1.154602 2.666484\nTi S\n1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.590865 0.590867 0.590863 S\n0.409134 0.409135 0.409132 S\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ti",
"S"
],
"chemical_system": "S-Ti",
"density": 2.956575441243148,
"density_atomic": 0.047693010029407075,
"volume": 62.90229948057854,
"volume_molar": 12.626883386657294,
"formula_full": "Ti1 S2",
"formula_reduced": "TiS2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.7912727777777775,
"spacegroup": 166
},
{
"id": "jvasp-93778",
"created_at": "2022-09-04T14:36:14.574926Z",
"updated_at": "2022-09-04T14:36:14.574952Z",
"structure_string": "Ti2 S4\n1.0\n-1.675895 -2.902758 -0.000000\n-1.675895 2.902758 0.000000\n0.000000 0.000000 -12.012392\nTi S\n2 4\ndirect\n0.666643 0.333354 0.750000 Ti\n0.333354 0.666643 0.250000 Ti\n0.666685 0.333313 0.125154 S\n0.333313 0.666685 0.874845 S\n0.333313 0.666685 0.625154 S\n0.666685 0.333313 0.374845 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ti",
"S"
],
"chemical_system": "S-Ti",
"density": 3.1824995807316174,
"density_atomic": 0.05133742988766652,
"volume": 116.87379000329466,
"volume_molar": 11.730506909242022,
"formula_full": "Ti2 S4",
"formula_reduced": "TiS2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.8344361111111116,
"spacegroup": 194
},
{
"id": "jvasp-58418",
"created_at": "2022-09-04T14:37:14.272432Z",
"updated_at": "2022-09-04T14:37:14.272455Z",
"structure_string": "Ti4 S8\n1.0\n5.981389 -0.000000 3.453357\n1.993796 5.639308 3.453357\n-0.000000 -0.000000 6.906713\nTi S\n4 8\ndirect\n0.500000 0.000000 0.500000 Ti\n0.000000 0.500000 0.500000 Ti\n0.500000 0.500000 0.000000 Ti\n0.500000 0.500000 0.500000 Ti\n0.748891 0.748890 0.748890 S\n0.251110 0.251110 0.746669 S\n0.251110 0.746670 0.251110 S\n0.746670 0.251110 0.251110 S\n0.251110 0.251110 0.251110 S\n0.748891 0.748890 0.253331 S\n0.253331 0.748890 0.748890 S\n0.748890 0.253331 0.748890 S\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ti",
"S"
],
"chemical_system": "S-Ti",
"density": 3.193127102439116,
"density_atomic": 0.05150886420735713,
"volume": 232.96960988485574,
"volume_molar": 11.691464862740741,
"formula_full": "Ti4 S8",
"formula_reduced": "TiS2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.787882777777778,
"spacegroup": 227
},
{
"id": "jvasp-30549",
"created_at": "2022-09-04T14:37:30.791232Z",
"updated_at": "2022-09-04T14:37:30.791267Z",
"structure_string": "Ti1 S2\n1.0\n6.522499 -0.454153 -0.268986\n5.863266 2.893329 -0.268986\n5.863266 1.154677 2.666538\nTi S\n1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.590872 0.590873 0.590870 S\n0.409129 0.409130 0.409128 S\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ti",
"S"
],
"chemical_system": "S-Ti",
"density": 2.956359287984988,
"density_atomic": 0.047689523225260114,
"volume": 62.90689856196685,
"volume_molar": 12.627806597173532,
"formula_full": "Ti1 S2",
"formula_reduced": "TiS2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.7912727777777775,
"spacegroup": 166
},
{
"id": "jvasp-93361",
"created_at": "2022-09-04T14:36:31.182992Z",
"updated_at": "2022-09-04T14:36:31.183018Z",
"structure_string": "Ti2 S4\n1.0\n-3.359948 -0.018373 0.595864\n-1.716583 -2.949540 0.002998\n0.363333 -2.174217 11.607129\nTi S\n2 4\ndirect\n0.081052 0.582495 0.754289 Ti\n-0.081052 0.417505 0.245712 Ti\n0.787293 0.290421 0.632279 S\n0.212708 0.709579 0.367721 S\n0.375015 0.874618 0.876104 S\n0.624986 0.125383 0.123896 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ti",
"S"
],
"chemical_system": "S-Ti",
"density": 3.1654143950711386,
"density_atomic": 0.051061825917041344,
"volume": 117.50461116976163,
"volume_molar": 11.793821806889547,
"formula_full": "Ti2 S4",
"formula_reduced": "TiS2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.7848461111111111,
"spacegroup": 166
}
]
}