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=-spacegroup&page=181",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=179",
"results": [
{
"id": "jvasp-14741",
"created_at": "2022-09-04T14:38:11.567679Z",
"updated_at": "2022-09-04T14:38:11.567734Z",
"structure_string": "Ti1 N1\n1.0\n2.604148 -0.000000 1.503505\n0.868050 2.455213 1.503505\n0.000000 0.000000 3.007010\nTi N\n1 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500001 0.499999 0.500002 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ti",
"N"
],
"chemical_system": "N-Ti",
"density": 5.343988006814602,
"density_atomic": 0.10402561349300549,
"volume": 19.226034174116904,
"volume_molar": 5.789094202655116,
"formula_full": "Ti1 N1",
"formula_reduced": "TiN",
"formula_anonymous": "AB",
"energy_above_hull": 2.0368607916666672,
"spacegroup": 225
},
{
"id": "jvasp-38183",
"created_at": "2022-09-04T14:38:11.568457Z",
"updated_at": "2022-09-04T14:38:11.568490Z",
"structure_string": "Rb3 Tl1\n1.0\n0.000000 4.738295 4.738295\n4.738295 0.000000 4.738295\n4.738295 4.738295 -0.000000\nRb Tl\n3 1\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500002 0.500002 0.500002 Rb\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Tl\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Tl"
],
"chemical_system": "Rb-Tl",
"density": 3.5962738042796505,
"density_atomic": 0.018800253625685843,
"volume": 212.76308711787806,
"volume_molar": 32.032231478900115,
"formula_full": "Rb3 Tl1",
"formula_reduced": "Rb3Tl",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0001599999999999,
"spacegroup": 225
},
{
"id": "jvasp-37166",
"created_at": "2022-09-04T14:38:08.632824Z",
"updated_at": "2022-09-04T14:38:08.632854Z",
"structure_string": "Zn1 N1\n1.0\n2.154242 2.154242 0.000000\n2.154242 -0.000000 -2.154242\n-0.000000 2.154242 -2.154242\nZn N\n1 1\ndirect\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Zn",
"N"
],
"chemical_system": "N-Zn",
"density": 6.595413116604761,
"density_atomic": 0.10002683643730405,
"volume": 19.99463415254148,
"volume_molar": 6.020525065565406,
"formula_full": "Zn1 N1",
"formula_reduced": "ZnN",
"formula_anonymous": "AB",
"energy_above_hull": 1.4733318249999998,
"spacegroup": 225
},
{
"id": "jvasp-18390",
"created_at": "2022-09-04T14:38:08.661228Z",
"updated_at": "2022-09-04T14:38:08.661253Z",
"structure_string": "Ti1 H2\n1.0\n2.714210 0.000000 1.567051\n0.904737 2.558983 1.567051\n0.000000 0.000000 3.134100\nTi H\n1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.750001 0.749999 0.749999 H\n0.250000 0.250000 0.250000 H\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ti",
"H"
],
"chemical_system": "H-Ti",
"density": 3.8051950284525624,
"density_atomic": 0.13781533918157463,
"volume": 21.768259018304462,
"volume_molar": 4.369717330278964,
"formula_full": "Ti1 H2",
"formula_reduced": "TiH2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.4860394444444447,
"spacegroup": 225
},
{
"id": "jvasp-34703",
"created_at": "2022-09-04T14:38:08.835692Z",
"updated_at": "2022-09-04T14:38:08.835718Z",
"structure_string": "Bi4 F12\n1.0\n5.740167 0.000000 -0.000000\n0.000000 5.740167 -0.000000\n-0.000000 -0.000000 5.740167\nBi F\n4 12\ndirect\n0.250018 0.749983 0.250018 Bi\n0.250018 0.250018 0.749983 Bi\n0.749983 0.749983 0.749983 Bi\n0.749983 0.250018 0.250018 Bi\n0.749953 0.250047 0.749953 F\n0.000000 0.000000 0.500000 F\n0.250047 0.250047 0.250047 F\n0.250047 0.749953 0.749953 F\n0.000000 0.500000 0.000000 F\n0.500000 0.000000 0.500000 F\n0.500000 0.500000 0.000000 F\n0.500000 0.000000 0.000000 F\n0.749953 0.749953 0.250047 F\n0.000000 0.500000 0.500000 F\n0.000000 0.000000 0.000000 F\n0.500000 0.500000 0.500000 F\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Bi",
"F"
],
"chemical_system": "Bi-F",
"density": 9.340654727402628,
"density_atomic": 0.08459533212539667,
"volume": 189.1357312278532,
"volume_molar": 7.1187624762478725,
"formula_full": "Bi4 F12",
"formula_reduced": "BiF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.05291,
"spacegroup": 225
},
{
"id": "jvasp-18287",
"created_at": "2022-09-04T14:38:08.922729Z",
"updated_at": "2022-09-04T14:38:08.922754Z",
"structure_string": "Mn1 In1 Ni2\n1.0\n3.701570 0.000000 2.137103\n1.233856 3.489874 2.137103\n0.000000 0.000000 4.274205\nMn In Ni\n1 1 2\ndirect\n0.500001 0.499999 0.500000 Mn\n0.000000 0.000000 0.000000 In\n0.750001 0.749999 0.750000 Ni\n0.250000 0.250000 0.250000 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"In",
"Ni"
],
"chemical_system": "In-Mn-Ni",
"density": 8.635669930240411,
"density_atomic": 0.07244508550408636,
"volume": 55.21423533656227,
"volume_molar": 8.312697428813598,
"formula_full": "Mn1 In1 Ni2",
"formula_reduced": "MnInNi2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.4413580028448276,
"spacegroup": 225
},
{
"id": "jvasp-108975",
"created_at": "2022-09-04T14:38:08.887783Z",
"updated_at": "2022-09-04T14:38:08.887807Z",
"structure_string": "K2 Rb1 Sb1 F6\n1.0\n5.862173 -0.000000 3.384527\n1.954058 5.526909 3.384527\n-0.000000 -0.000000 6.769054\nK Rb Sb F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Sb\n0.771482 0.228518 0.228518 F\n0.228518 0.228518 0.771482 F\n0.228518 0.771482 0.771482 F\n0.228518 0.771482 0.228518 F\n0.771482 0.228518 0.771483 F\n0.771482 0.771482 0.228518 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Rb",
"Sb",
"F"
],
"chemical_system": "F-K-Rb-Sb",
"density": 3.0241570981818007,
"density_atomic": 0.04559645475441985,
"volume": 219.31529663565914,
"volume_molar": 13.207475871610937,
"formula_full": "K2 Rb1 Sb1 F6",
"formula_reduced": "K2RbSbF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-77366",
"created_at": "2022-09-04T14:38:09.801267Z",
"updated_at": "2022-09-04T14:38:09.801291Z",
"structure_string": "Y1 Sc1 Ag2\n1.0\n-11.655597 2.571567 -2.533154\n-8.582498 0.451652 0.766038\n-7.143116 4.522434 -1.724066\nY Sc Ag\n1 1 2\ndirect\n0.499999 0.000002 0.000001 Y\n-0.000002 0.000002 0.000002 Sc\n0.750287 -0.000199 -0.000196 Ag\n0.249714 0.000200 0.000196 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Sc",
"Ag"
],
"chemical_system": "Ag-Sc-Y",
"density": 6.635924698733121,
"density_atomic": 0.04572389327646594,
"volume": 87.481614389534,
"volume_molar": 13.17066489414538,
"formula_full": "Y1 Sc1 Ag2",
"formula_reduced": "YScAg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.157153805,
"spacegroup": 225
},
{
"id": "jvasp-109835",
"created_at": "2022-09-04T14:38:09.183743Z",
"updated_at": "2022-09-04T14:38:09.183767Z",
"structure_string": "Na2 Sm1 Cu1 Cl6\n1.0\n6.298724 -0.000000 3.636570\n2.099575 5.938494 3.636570\n-0.000000 -0.000000 7.273140\nNa Sm Cu Cl\n2 1 1 6\ndirect\n0.749999 0.749999 0.750001 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Sm\n0.499999 0.500000 0.500000 Cu\n0.741279 0.258720 0.258720 Cl\n0.258720 0.258720 0.741280 Cl\n0.258719 0.741280 0.741281 Cl\n0.258719 0.741280 0.258720 Cl\n0.741279 0.258720 0.741280 Cl\n0.741279 0.741280 0.258721 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"Sm",
"Cu",
"Cl"
],
"chemical_system": "Cl-Cu-Na-Sm",
"density": 2.8846638923325263,
"density_atomic": 0.03675776966006324,
"volume": 272.0513266305395,
"volume_molar": 16.383313829138455,
"formula_full": "Na2 Sm1 Cu1 Cl6",
"formula_reduced": "Na2SmCuCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-41410",
"created_at": "2022-09-04T14:38:08.940969Z",
"updated_at": "2022-09-04T14:38:08.941002Z",
"structure_string": "Th2 Bi1 Te1\n1.0\n0.000000 3.907416 3.907416\n3.907416 -0.000000 3.907416\n3.907416 3.907416 -0.000000\nTh Bi Te\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Th\n0.500001 0.500001 0.500001 Th\n0.250001 0.250001 0.250001 Bi\n0.750001 0.750001 0.750001 Te\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Th",
"Bi",
"Te"
],
"chemical_system": "Bi-Te-Th",
"density": 11.14285283734634,
"density_atomic": 0.033524402338048626,
"volume": 119.31607190682674,
"volume_molar": 17.963454498829805,
"formula_full": "Th2 Bi1 Te1",
"formula_reduced": "Th2BiTe",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.9211033166666671,
"spacegroup": 225
},
{
"id": "jvasp-37179",
"created_at": "2022-09-04T14:38:08.974023Z",
"updated_at": "2022-09-04T14:38:08.974051Z",
"structure_string": "Mn1 Si1 Ni2\n1.0\n2.849932 2.849932 0.000000\n2.849932 -0.000000 -2.849932\n0.000000 2.849932 -2.849932\nMn Si Ni\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Mn\n0.250000 0.250000 0.250000 Si\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Si",
"Ni"
],
"chemical_system": "Mn-Ni-Si",
"density": 7.188458074790838,
"density_atomic": 0.08640253852905469,
"volume": 46.294936099069766,
"volume_molar": 6.969865541595086,
"formula_full": "Mn1 Si1 Ni2",
"formula_reduced": "MnSiNi2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.2890676603448274,
"spacegroup": 225
},
{
"id": "jvasp-18368",
"created_at": "2022-09-04T14:38:09.148733Z",
"updated_at": "2022-09-04T14:38:09.148759Z",
"structure_string": "K2 Os1 Cl6\n1.0\n5.939994 -0.000000 3.429457\n1.979998 5.600280 3.429457\n0.000000 -0.000000 6.858914\nK Os Cl\n2 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.000000 0.000000 0.000000 Os\n0.757416 0.242584 0.757416 Cl\n0.757416 0.242584 0.242584 Cl\n0.757416 0.757416 0.242584 Cl\n0.242584 0.757416 0.242584 Cl\n0.242584 0.242584 0.757416 Cl\n0.242584 0.757416 0.757416 Cl\n",
"nsites": 9,
"nelements": 3,
"elements": [
"K",
"Os",
"Cl"
],
"chemical_system": "Cl-K-Os",
"density": 3.5016570428226665,
"density_atomic": 0.03944494950409865,
"volume": 228.16609257073145,
"volume_molar": 15.267203623557057,
"formula_full": "K2 Os1 Cl6",
"formula_reduced": "K2OsCl6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.4815028227777778,
"spacegroup": 225
}
]
}