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=id&page=363",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=id&page=361",
"results": [
{
"id": "jvasp-106401",
"created_at": "2022-09-04T14:36:53.764115Z",
"updated_at": "2022-09-04T14:36:53.764126Z",
"structure_string": "Ti3 S6\n1.0\n3.411666 0.000000 0.000000\n-1.705833 2.954590 0.000000\n-0.000000 -0.000000 17.181397\nTi S\n3 6\ndirect\n0.000000 0.000000 0.500000 Ti\n0.000000 0.000000 0.833372 Ti\n0.000000 0.000000 0.166628 Ti\n0.333334 0.666667 0.582827 S\n0.333334 0.666667 0.916193 S\n0.333334 0.666667 0.249454 S\n0.666668 0.333333 0.750546 S\n0.666668 0.333333 0.083807 S\n0.666668 0.333333 0.417173 S\n",
"nsites": 9,
"nelements": 2,
"elements": [
"Ti",
"S"
],
"chemical_system": "S-Ti",
"density": 3.221473312380492,
"density_atomic": 0.05196612163301623,
"volume": 173.1897574261522,
"volume_molar": 11.588589971228267,
"formula_full": "Ti3 S6",
"formula_reduced": "TiS2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.7804761111111114,
"spacegroup": 164
},
{
"id": "jvasp-106402",
"created_at": "2022-09-04T14:36:52.966759Z",
"updated_at": "2022-09-04T14:36:52.966777Z",
"structure_string": "Tm2 Al2 O6\n1.0\n3.408610 0.000000 0.000000\n-1.704305 2.951942 0.000000\n-0.000000 -0.000000 11.471723\nTm Al O\n2 2 6\ndirect\n0.000000 0.000000 0.000000 Tm\n0.000000 0.000000 0.500000 Tm\n0.333334 0.666666 0.250000 Al\n0.666667 0.333333 0.750000 Al\n0.333334 0.666666 0.090701 O\n0.333334 0.666666 0.409299 O\n0.000000 0.000000 0.250000 O\n0.000000 0.000000 0.750000 O\n0.666667 0.333333 0.909299 O\n0.666667 0.333333 0.590701 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Tm",
"Al",
"O"
],
"chemical_system": "Al-O-Tm",
"density": 7.01781546521418,
"density_atomic": 0.08663357060226283,
"volume": 115.42869502528393,
"volume_molar": 6.951278491853715,
"formula_full": "Tm2 Al2 O6",
"formula_reduced": "TmAlO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.46900751,
"spacegroup": 194
},
{
"id": "jvasp-106404",
"created_at": "2022-09-04T14:36:54.327028Z",
"updated_at": "2022-09-04T14:36:54.327057Z",
"structure_string": "Rb2 Li1 Nb1 F6\n1.0\n5.151796 -0.000000 2.974391\n1.717265 4.857160 2.974391\n-0.000000 -0.000000 5.948782\nRb Li Nb F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750001 0.750000 0.749999 Rb\n0.500001 0.500000 0.499999 Li\n0.000000 0.000000 0.000000 Nb\n0.251300 0.251299 0.748700 F\n0.251300 0.748701 0.748700 F\n0.748702 0.748701 0.251298 F\n0.251300 0.748701 0.251299 F\n0.748702 0.251299 0.748700 F\n0.748702 0.251299 0.251299 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Li",
"Nb",
"F"
],
"chemical_system": "F-Li-Nb-Rb",
"density": 4.292250067239395,
"density_atomic": 0.06717858912469177,
"volume": 148.8569517504865,
"volume_molar": 8.964375165459582,
"formula_full": "Rb2 Li1 Nb1 F6",
"formula_reduced": "Rb2LiNbF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.1124921094999999,
"spacegroup": 225
},
{
"id": "jvasp-106405",
"created_at": "2022-09-04T14:36:49.683232Z",
"updated_at": "2022-09-04T14:36:49.683258Z",
"structure_string": "Rb2 Cu1 Au1 F6\n1.0\n5.227668 -0.000000 3.018196\n1.742556 4.928693 3.018196\n-0.000000 -0.000000 6.036392\nRb Cu Au F\n2 1 1 6\ndirect\n0.750001 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500001 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Au\n0.735100 0.264900 0.264901 F\n0.264900 0.264900 0.735100 F\n0.264901 0.735099 0.735100 F\n0.264901 0.735099 0.264901 F\n0.735100 0.264900 0.735100 F\n0.735101 0.735099 0.264901 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Cu",
"Au",
"F"
],
"chemical_system": "Au-Cu-F-Rb",
"density": 5.823415208561738,
"density_atomic": 0.06429582882600089,
"volume": 155.53108471565503,
"volume_molar": 9.366300847131592,
"formula_full": "Rb2 Cu1 Au1 F6",
"formula_reduced": "Rb2CuAuF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-106408",
"created_at": "2022-09-04T14:36:54.536921Z",
"updated_at": "2022-09-04T14:36:54.536945Z",
"structure_string": "K3 Sb1 Br6\n1.0\n7.141012 -0.000000 4.122865\n2.380337 6.732611 4.122865\n-0.000000 -0.000000 8.245730\nK Sb Br\n3 1 6\ndirect\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500001 K\n0.000000 0.000000 0.000000 Sb\n0.760308 0.239692 0.239692 Br\n0.239692 0.239692 0.760308 Br\n0.239692 0.760308 0.760309 Br\n0.239692 0.760308 0.239692 Br\n0.760308 0.239692 0.760309 Br\n0.760308 0.760308 0.239693 Br\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Sb",
"Br"
],
"chemical_system": "Br-K-Sb",
"density": 3.00947486642862,
"density_atomic": 0.02522479263563402,
"volume": 396.4353699333652,
"volume_molar": 23.873895999813975,
"formula_full": "K3 Sb1 Br6",
"formula_reduced": "K3SbBr6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-106409",
"created_at": "2022-09-04T14:36:55.815646Z",
"updated_at": "2022-09-04T14:36:55.815671Z",
"structure_string": "K3 In1 Cl6\n1.0\n6.615184 -0.000000 3.819278\n2.205061 6.236855 3.819278\n-0.000000 -0.000000 7.638556\nK In Cl\n3 1 6\ndirect\n0.749999 0.750001 0.750001 K\n0.250000 0.250000 0.250000 K\n0.499999 0.500000 0.500001 K\n0.000000 0.000000 0.000000 In\n0.766632 0.233367 0.233368 Cl\n0.233367 0.233367 0.766633 Cl\n0.233367 0.766633 0.766633 Cl\n0.233367 0.766633 0.233368 Cl\n0.766632 0.233367 0.766634 Cl\n0.766632 0.766633 0.233368 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"In",
"Cl"
],
"chemical_system": "Cl-In-K",
"density": 2.3438251090914752,
"density_atomic": 0.031730809906975896,
"volume": 315.1511111540061,
"volume_molar": 18.97884352039831,
"formula_full": "K3 In1 Cl6",
"formula_reduced": "K3InCl6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-106410",
"created_at": "2022-09-04T14:38:48.519191Z",
"updated_at": "2022-09-04T14:38:48.519211Z",
"structure_string": "K3 Gd1 Cl6\n1.0\n6.783862 -0.000000 3.916665\n2.261287 6.395886 3.916665\n-0.000000 -0.000000 7.833329\nK Gd Cl\n3 1 6\ndirect\n0.750000 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.499999 K\n0.000000 0.000000 0.000000 Gd\n0.761529 0.238471 0.238470 Cl\n0.238470 0.238471 0.761529 Cl\n0.238470 0.761530 0.761529 Cl\n0.238470 0.761530 0.238470 Cl\n0.761529 0.238471 0.761529 Cl\n0.761530 0.761530 0.238469 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Gd",
"Cl"
],
"chemical_system": "Cl-Gd-K",
"density": 2.3806105656115,
"density_atomic": 0.029422252188315616,
"volume": 339.87880791706607,
"volume_molar": 20.46798022617574,
"formula_full": "K3 Gd1 Cl6",
"formula_reduced": "K3GdCl6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.3004361905000007,
"spacegroup": 225
},
{
"id": "jvasp-106411",
"created_at": "2022-09-04T14:36:50.297006Z",
"updated_at": "2022-09-04T14:36:50.297025Z",
"structure_string": "K3 As1 Br6\n1.0\n6.950857 -0.000000 4.013079\n2.316952 6.553331 4.013079\n-0.000000 -0.000000 8.026159\nK As Br\n3 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 As\n0.766457 0.233543 0.233543 Br\n0.233543 0.233543 0.766457 Br\n0.233543 0.766457 0.766458 Br\n0.233543 0.766457 0.233543 Br\n0.766457 0.233543 0.766457 Br\n0.766457 0.766457 0.233543 Br\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"As",
"Br"
],
"chemical_system": "As-Br-K",
"density": 3.0505472541554797,
"density_atomic": 0.027352169748406114,
"volume": 365.60170882175544,
"volume_molar": 22.01704952621145,
"formula_full": "K3 As1 Br6",
"formula_reduced": "K3AsBr6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-106412",
"created_at": "2022-09-04T14:36:56.328858Z",
"updated_at": "2022-09-04T14:36:56.328877Z",
"structure_string": "K2 Na1 Bi1 Br6\n1.0\n6.928528 -0.000000 4.000188\n2.309509 6.532279 4.000188\n-0.000000 -0.000000 8.000375\nK Na Bi Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Bi\n0.748734 0.251267 0.251267 Br\n0.251267 0.251267 0.748734 Br\n0.251267 0.748733 0.748734 Br\n0.251267 0.748733 0.251267 Br\n0.748734 0.251267 0.748734 Br\n0.748734 0.748733 0.251267 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Na",
"Bi",
"Br"
],
"chemical_system": "Bi-Br-K-Na",
"density": 3.6210549384364015,
"density_atomic": 0.02761747400666498,
"volume": 362.08959579672927,
"volume_molar": 21.805545136194084,
"formula_full": "K2 Na1 Bi1 Br6",
"formula_reduced": "K2NaBiBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-106413",
"created_at": "2022-09-04T14:36:54.787459Z",
"updated_at": "2022-09-04T14:36:54.787470Z",
"structure_string": "K3 Ga1 I6\n1.0\n7.395921 -0.000000 4.270037\n2.465307 6.972941 4.270037\n-0.000000 -0.000000 8.540074\nK Ga I\n3 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Ga\n0.768641 0.231359 0.231360 I\n0.231359 0.231359 0.768640 I\n0.231360 0.768640 0.768641 I\n0.231360 0.768640 0.231360 I\n0.768641 0.231359 0.768641 I\n0.768641 0.768640 0.231360 I\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Ga",
"I"
],
"chemical_system": "Ga-I-K",
"density": 3.575948311274056,
"density_atomic": 0.022705449916383794,
"volume": 440.4228956848022,
"volume_molar": 26.522886717406756,
"formula_full": "K3 Ga1 I6",
"formula_reduced": "K3GaI6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-106414",
"created_at": "2022-09-04T14:36:55.611628Z",
"updated_at": "2022-09-04T14:36:55.611649Z",
"structure_string": "Li3 Tl1 F6\n1.0\n5.017351 -0.000000 2.896769\n1.672450 4.730404 2.896769\n-0.000000 -0.000000 5.793538\nLi Tl F\n3 1 6\ndirect\n0.250000 0.250000 0.250000 Li\n0.750000 0.749999 0.750001 Li\n0.500000 0.500000 0.500001 Li\n0.000000 0.000000 0.000000 Tl\n0.262773 0.262773 0.737228 F\n0.262773 0.737227 0.737228 F\n0.737227 0.737227 0.262774 F\n0.262773 0.737227 0.262773 F\n0.737227 0.262773 0.737228 F\n0.737227 0.262773 0.262773 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Li",
"Tl",
"F"
],
"chemical_system": "F-Li-Tl",
"density": 4.0962283899935725,
"density_atomic": 0.07272494856776382,
"volume": 137.50439425449957,
"volume_molar": 8.280708173191316,
"formula_full": "Li3 Tl1 F6",
"formula_reduced": "Li3TlF6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-106415",
"created_at": "2022-09-04T14:36:56.483714Z",
"updated_at": "2022-09-04T14:36:56.483734Z",
"structure_string": "K3 Nd1 Cl6\n1.0\n6.872496 -0.000000 3.967838\n2.290832 6.479452 3.967838\n-0.000000 -0.000000 7.935675\nK Nd Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750001 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500001 K\n0.000000 0.000000 0.000000 Nd\n0.758654 0.241346 0.241347 Cl\n0.241346 0.241346 0.758654 Cl\n0.241346 0.758653 0.758654 Cl\n0.241346 0.758653 0.241347 Cl\n0.758654 0.241346 0.758654 Cl\n0.758654 0.758653 0.241347 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Nd",
"Cl"
],
"chemical_system": "Cl-K-Nd",
"density": 2.2285597281465472,
"density_atomic": 0.02829849597674953,
"volume": 353.37567085601125,
"volume_molar": 21.280780310543292,
"formula_full": "K3 Nd1 Cl6",
"formula_reduced": "K3NdCl6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
}
]
}