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=-elements&page=1063",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=1061",
"results": [
{
"id": "jvasp-116083",
"created_at": "2022-09-04T14:38:41.087651Z",
"updated_at": "2022-09-04T14:38:41.087679Z",
"structure_string": "Tl1 Zn1 F1\n1.0\n3.089841 0.000000 0.000000\n0.000000 3.089841 -0.000000\n-0.000000 -0.000000 7.406534\nTl Zn F\n1 1 1\ndirect\n0.000000 0.000000 0.288742 Tl\n0.000000 0.000000 0.710622 Zn\n0.000000 0.000000 -0.031283 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Tl",
"Zn",
"F"
],
"chemical_system": "F-Tl-Zn",
"density": 6.781800680541118,
"density_atomic": 0.042426183945033766,
"volume": 70.71104966420549,
"volume_molar": 14.194396478839872,
"formula_full": "Tl1 Zn1 F1",
"formula_reduced": "TlZnF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 99
},
{
"id": "jvasp-116081",
"created_at": "2022-09-04T14:38:41.070777Z",
"updated_at": "2022-09-04T14:38:41.070807Z",
"structure_string": "Tl1 Zn1 F1\n1.0\n4.816167 -0.000000 -0.000000\n-2.408083 4.170923 -0.000000\n-0.000000 -0.000000 3.050375\nTl Zn F\n1 1 1\ndirect\n0.333335 0.666666 0.000000 Tl\n0.666668 0.333333 0.000000 Zn\n0.000000 0.000000 0.000000 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Tl",
"Zn",
"F"
],
"chemical_system": "F-Tl-Zn",
"density": 7.8260994576234815,
"density_atomic": 0.04895919989420422,
"volume": 61.27551117017211,
"volume_molar": 12.300325113590958,
"formula_full": "Tl1 Zn1 F1",
"formula_reduced": "TlZnF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0403133333333333,
"spacegroup": 187
},
{
"id": "jvasp-36988",
"created_at": "2022-09-04T14:38:09.481613Z",
"updated_at": "2022-09-04T14:38:09.481640Z",
"structure_string": "Tl1 Zn1 F3\n1.0\n4.160985 -0.000377 -0.005654\n0.000403 4.161116 -0.002823\n0.005939 0.002942 4.161209\nTl Zn F\n1 1 3\ndirect\n0.988039 0.000002 0.997990 Tl\n0.487958 0.500002 0.498004 Zn\n0.488008 -0.000005 0.498006 F\n0.987989 0.499998 0.498005 F\n0.488004 0.499999 0.998006 F\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Tl",
"Zn",
"F"
],
"chemical_system": "F-Tl-Zn",
"density": 7.531612882384302,
"density_atomic": 0.06939743963705917,
"volume": 72.04876759358038,
"volume_molar": 8.677756400661352,
"formula_full": "Tl1 Zn1 F3",
"formula_reduced": "TlZnF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-100515",
"created_at": "2022-09-04T14:38:39.539802Z",
"updated_at": "2022-09-04T14:38:39.539823Z",
"structure_string": "Tl1 W1 O3\n1.0\n4.015267 0.000000 -0.000000\n-0.000000 4.015267 0.000000\n0.000000 0.000000 4.015267\nTl W O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 W\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Tl",
"W",
"O"
],
"chemical_system": "O-Tl-W",
"density": 11.189556556726416,
"density_atomic": 0.07723723458137008,
"volume": 64.73561653392002,
"volume_molar": 7.796939899052994,
"formula_full": "Tl1 W1 O3",
"formula_reduced": "TlWO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.72534862,
"spacegroup": 221
},
{
"id": "jvasp-113213",
"created_at": "2022-09-04T14:38:45.435994Z",
"updated_at": "2022-09-04T14:38:45.436023Z",
"structure_string": "Tl6 W1 O12\n1.0\n6.453364 -0.001398 -0.957039\n-1.109234 6.357319 -0.957039\n-0.001175 -0.001398 6.523942\nTl W O\n6 1 12\ndirect\n0.306390 0.603394 0.134614 Tl\n0.865386 0.693610 0.396605 Tl\n0.396606 0.865386 0.693610 Tl\n0.603394 0.134613 0.306389 Tl\n0.134613 0.306389 0.603394 Tl\n0.693610 0.396605 0.865386 Tl\n0.000000 0.000000 0.000000 W\n0.418459 0.174928 0.599570 O\n0.400429 0.581540 0.825071 O\n0.964170 0.088592 0.288961 O\n0.825071 0.400429 0.581540 O\n0.174928 0.599571 0.418460 O\n0.581540 0.825072 0.400429 O\n0.599570 0.418460 0.174928 O\n0.088592 0.288961 0.964171 O\n0.911407 0.711038 0.035829 O\n0.288962 0.964171 0.088592 O\n0.035829 0.911407 0.711038 O\n0.711037 0.035828 0.911407 O\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Tl",
"W",
"O"
],
"chemical_system": "O-Tl-W",
"density": 9.940809142813054,
"density_atomic": 0.07099500297247935,
"volume": 267.6244693920951,
"volume_molar": 8.482485397365833,
"formula_full": "Tl6 W1 O12",
"formula_reduced": "Tl6WO12",
"formula_anonymous": "AB6C12",
"energy_above_hull": 2.130920926315789,
"spacegroup": 148
},
{
"id": "jvasp-18528",
"created_at": "2022-09-04T14:36:54.110616Z",
"updated_at": "2022-09-04T14:36:54.110635Z",
"structure_string": "Tl2 W1 Cl6\n1.0\n6.024146 -0.000000 3.478043\n2.008049 5.679619 3.478043\n-0.000000 -0.000000 6.956084\nTl W Cl\n2 1 6\ndirect\n0.250000 0.250000 0.250000 Tl\n0.750001 0.750000 0.749999 Tl\n0.000000 0.000000 0.000000 W\n0.242950 0.757050 0.757049 Cl\n0.242950 0.757050 0.242949 Cl\n0.757051 0.242950 0.757049 Cl\n0.757051 0.242950 0.242949 Cl\n0.757051 0.757050 0.242949 Cl\n0.242950 0.242950 0.757049 Cl\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Tl",
"W",
"Cl"
],
"chemical_system": "Cl-Tl-W",
"density": 5.61876091921974,
"density_atomic": 0.037814903763798396,
"volume": 238.00139903082425,
"volume_molar": 15.925310289339457,
"formula_full": "Tl2 W1 Cl6",
"formula_reduced": "Tl2WCl6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.8431899561111108,
"spacegroup": 225
},
{
"id": "jvasp-35621",
"created_at": "2022-09-04T14:37:40.307111Z",
"updated_at": "2022-09-04T14:37:40.307137Z",
"structure_string": "Tl3 V1 Se4\n1.0\n-3.903184 -3.903184 3.903184\n-3.903184 3.903184 -3.903184\n3.903184 -3.903184 -3.903184\nTl V Se\n3 1 4\ndirect\n0.499999 0.499999 0.000000 Tl\n0.499999 0.000000 0.499999 Tl\n0.000000 0.499999 0.499999 Tl\n0.000000 0.000000 0.000000 V\n0.659953 0.659953 0.659953 Se\n0.340046 0.000000 0.000000 Se\n0.000000 0.340046 0.000000 Se\n0.000000 0.000000 0.340046 Se\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Tl",
"V",
"Se"
],
"chemical_system": "Se-Tl-V",
"density": 6.841127831793999,
"density_atomic": 0.03363356641042775,
"volume": 237.85761826077652,
"volume_molar": 17.905150725059283,
"formula_full": "Tl3 V1 Se4",
"formula_reduced": "Tl3VSe4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.0929681833333331,
"spacegroup": 217
},
{
"id": "jvasp-86172",
"created_at": "2022-09-04T14:36:21.048037Z",
"updated_at": "2022-09-04T14:36:21.048068Z",
"structure_string": "Tl1 V5 Se8\n1.0\n3.483277 -0.000025 -0.657727\n-0.399153 8.790727 -2.113966\n-0.032841 0.012746 9.379196\nTl V Se\n1 5 8\ndirect\n0.000000 0.000000 0.000000 Tl\n0.147270 0.492042 0.294607 V\n0.791714 0.159719 0.583363 V\n0.208288 0.840282 0.416637 V\n0.500001 0.500000 -0.000000 V\n0.852732 0.507960 0.705393 V\n0.662944 0.997260 0.325942 Se\n0.260161 0.347426 0.520283 Se\n0.070998 0.678158 0.142014 Se\n0.739841 0.652576 0.479718 Se\n0.929004 0.321843 0.857986 Se\n0.586215 0.315758 0.172456 Se\n0.337058 0.002741 0.674058 Se\n0.413787 0.684244 0.827544 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Tl",
"V",
"Se"
],
"chemical_system": "Se-Tl-V",
"density": 6.308767214825064,
"density_atomic": 0.048762946243180186,
"volume": 287.1032429046059,
"volume_molar": 12.34982958160006,
"formula_full": "Tl1 V5 Se8",
"formula_reduced": "TlV5Se8",
"formula_anonymous": "AB5C8",
"energy_above_hull": 2.7988350380952385,
"spacegroup": 12
},
{
"id": "jvasp-86774",
"created_at": "2022-09-04T14:35:59.274421Z",
"updated_at": "2022-09-04T14:35:59.274456Z",
"structure_string": "Tl1 V5 Se8\n1.0\n3.483277 -0.000025 -0.657727\n-0.399153 8.790727 -2.113966\n-0.032841 0.012746 9.379196\nTl V Se\n1 5 8\ndirect\n0.000000 0.000000 0.000000 Tl\n0.147270 0.492042 0.294607 V\n0.791714 0.159719 0.583363 V\n0.208288 0.840282 0.416637 V\n0.500001 0.500000 -0.000000 V\n0.852732 0.507960 0.705393 V\n0.662944 0.997260 0.325942 Se\n0.260161 0.347426 0.520283 Se\n0.070998 0.678158 0.142014 Se\n0.739841 0.652576 0.479718 Se\n0.929004 0.321843 0.857986 Se\n0.586215 0.315758 0.172456 Se\n0.337058 0.002741 0.674058 Se\n0.413787 0.684244 0.827544 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Tl",
"V",
"Se"
],
"chemical_system": "Se-Tl-V",
"density": 6.308767214825064,
"density_atomic": 0.048762946243180186,
"volume": 287.1032429046059,
"volume_molar": 12.34982958160006,
"formula_full": "Tl1 V5 Se8",
"formula_reduced": "TlV5Se8",
"formula_anonymous": "AB5C8",
"energy_above_hull": 2.7988350380952385,
"spacegroup": 12
},
{
"id": "jvasp-85014",
"created_at": "2022-09-04T14:37:11.768082Z",
"updated_at": "2022-09-04T14:37:11.768111Z",
"structure_string": "Tl3 V1 Se4\n1.0\n-3.903118 -3.903118 3.903118\n-3.903118 3.903118 -3.903118\n3.903118 -3.903118 -3.903118\nTl V Se\n3 1 4\ndirect\n0.000000 0.500000 0.500000 Tl\n0.500000 0.000000 0.500000 Tl\n0.500000 0.500000 0.000000 Tl\n0.000000 0.000000 0.000000 V\n0.340055 0.000000 0.000000 Se\n0.000000 0.340055 0.000000 Se\n0.000000 0.000000 0.340055 Se\n0.659946 0.659946 0.659946 Se\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Tl",
"V",
"Se"
],
"chemical_system": "Se-Tl-V",
"density": 6.841474879004856,
"density_atomic": 0.03363527262549944,
"volume": 237.84555246729508,
"volume_molar": 17.904242451225205,
"formula_full": "Tl3 V1 Se4",
"formula_reduced": "Tl3VSe4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.0929769333333337,
"spacegroup": 217
},
{
"id": "jvasp-2445",
"created_at": "2022-09-04T14:36:38.147676Z",
"updated_at": "2022-09-04T14:36:38.147733Z",
"structure_string": "Tl3 V1 S4\n1.0\n6.188730 -0.000000 -2.188047\n-3.094365 5.359598 -2.188047\n0.000000 0.000000 6.564139\nTl V S\n3 1 4\ndirect\n0.500000 -0.000000 0.500000 Tl\n0.500001 0.500000 -0.000000 Tl\n0.000001 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 V\n0.330615 0.330615 0.330614 S\n0.669386 0.000000 -0.000000 S\n0.000001 0.669386 -0.000000 S\n-0.000000 -0.000000 0.669386 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Tl",
"V",
"S"
],
"chemical_system": "S-Tl-V",
"density": 6.043039122918887,
"density_atomic": 0.03674332598287152,
"volume": 217.72661526964993,
"volume_molar": 16.389754054402466,
"formula_full": "Tl3 V1 S4",
"formula_reduced": "Tl3VS4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.37088775,
"spacegroup": 217
},
{
"id": "jvasp-4164",
"created_at": "2022-09-04T14:36:31.796403Z",
"updated_at": "2022-09-04T14:36:31.796437Z",
"structure_string": "Tl3 V1 O4\n1.0\n5.183129 0.000000 2.921273\n1.924667 5.067921 2.643893\n0.015453 -0.029220 6.031355\nTl V O\n3 1 4\ndirect\n0.766377 0.767878 0.699367 Tl\n-0.000001 0.042251 0.957748 Tl\n0.233624 0.300631 0.232121 Tl\n0.500000 0.507938 0.492061 V\n0.327685 0.832263 0.512366 O\n0.672315 0.487632 0.167736 O\n0.743895 0.356203 0.643796 O\n0.256105 0.356203 0.643796 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Tl",
"V",
"O"
],
"chemical_system": "O-Tl-V",
"density": 7.6309158609728955,
"density_atomic": 0.050493222074088455,
"volume": 158.4371064350308,
"volume_molar": 11.926631956985716,
"formula_full": "Tl3 V1 O4",
"formula_reduced": "Tl3VO4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.55064825,
"spacegroup": 44
}
]
}