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=-energy_above_hull&page=4559",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=4557",
"results": [
{
"id": "jvasp-106920",
"created_at": "2022-09-04T14:36:55.155472Z",
"updated_at": "2022-09-04T14:36:55.155492Z",
"structure_string": "Na3 Y1 I6\n1.0\n7.374607 -0.000000 4.257731\n2.458202 6.952846 4.257731\n-0.000000 -0.000000 8.515463\nNa Y I\n3 1 6\ndirect\n0.750000 0.750000 0.749999 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Y\n0.751937 0.248064 0.248063 I\n0.248063 0.248064 0.751936 I\n0.248063 0.751937 0.751936 I\n0.248063 0.751937 0.248063 I\n0.751937 0.248064 0.751936 I\n0.751937 0.751937 0.248063 I\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Na",
"Y",
"I"
],
"chemical_system": "I-Na-Y",
"density": 3.4962101893566366,
"density_atomic": 0.02290288762741292,
"volume": 436.62616534129967,
"volume_molar": 26.2942422718434,
"formula_full": "Na3 Y1 I6",
"formula_reduced": "Na3YI6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-107144",
"created_at": "2022-09-04T14:36:55.115198Z",
"updated_at": "2022-09-04T14:36:55.115223Z",
"structure_string": "Rb2 Tl1 As1 I6\n1.0\n7.451707 0.000000 4.302245\n2.483902 7.025537 4.302245\n-0.000000 -0.000000 8.604490\nRb Tl As I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 As\n0.763748 0.236252 0.236252 I\n0.236252 0.236252 0.763748 I\n0.236252 0.763748 0.763749 I\n0.236252 0.763748 0.236252 I\n0.763748 0.236252 0.763748 I\n0.763748 0.763748 0.236253 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Tl",
"As",
"I"
],
"chemical_system": "As-I-Rb-Tl",
"density": 4.466548585190024,
"density_atomic": 0.022199314825697054,
"volume": 450.46435345042244,
"volume_molar": 27.127597438408355,
"formula_full": "Rb2 Tl1 As1 I6",
"formula_reduced": "Rb2TlAsI6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-107410",
"created_at": "2022-09-04T14:36:55.226046Z",
"updated_at": "2022-09-04T14:36:55.226069Z",
"structure_string": "Rb2 Ga1 Hg1 Cl6\n1.0\n6.366792 -0.000000 3.675869\n2.122264 6.002669 3.675869\n-0.000000 -0.000000 7.351738\nRb Ga Hg Cl\n2 1 1 6\ndirect\n0.749999 0.750000 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Hg\n0.767124 0.232876 0.232876 Cl\n0.232875 0.232876 0.767125 Cl\n0.232875 0.767124 0.767125 Cl\n0.232875 0.767124 0.232876 Cl\n0.767124 0.232876 0.767125 Cl\n0.767124 0.767124 0.232876 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Ga",
"Hg",
"Cl"
],
"chemical_system": "Cl-Ga-Hg-Rb",
"density": 3.8650007837496787,
"density_atomic": 0.03559138764165391,
"volume": 280.9668479544369,
"volume_molar": 16.920219072751372,
"formula_full": "Rb2 Ga1 Hg1 Cl6",
"formula_reduced": "Rb2GaHgCl6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-13060",
"created_at": "2022-09-04T14:36:50.729080Z",
"updated_at": "2022-09-04T14:36:50.729106Z",
"structure_string": "I4 F12\n1.0\n4.560524 0.000000 0.000000\n0.000000 6.663876 0.000000\n0.000000 0.000000 8.677027\nI F\n4 12\ndirect\n0.526870 0.750000 0.813029 I\n0.026871 0.250000 0.686972 I\n0.473129 0.250000 0.186972 I\n0.973128 0.750000 0.313028 I\n0.870486 0.750000 0.940568 F\n0.370486 0.250000 0.559432 F\n0.129513 0.250000 0.059432 F\n0.629513 0.750000 0.440568 F\n0.902402 0.450023 0.334761 F\n0.402403 0.549977 0.165239 F\n0.097597 0.950024 0.665239 F\n0.597596 0.049977 0.834761 F\n0.097597 0.549977 0.665239 F\n0.597596 0.450023 0.834761 F\n0.902402 0.049977 0.334761 F\n0.402403 0.950024 0.165239 F\n",
"nsites": 16,
"nelements": 2,
"elements": [
"I",
"F"
],
"chemical_system": "F-I",
"density": 4.632095021081465,
"density_atomic": 0.06067466414506513,
"volume": 263.70150087268894,
"volume_molar": 9.925297230491223,
"formula_full": "I4 F12",
"formula_reduced": "IF3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-106841",
"created_at": "2022-09-04T14:36:50.718452Z",
"updated_at": "2022-09-04T14:36:50.718482Z",
"structure_string": "Ca2 Tl1 Cd1\n1.0\n3.812036 -0.000000 0.000000\n0.000000 3.812036 0.000000\n0.000000 -0.000000 7.714836\nCa Tl Cd\n2 1 1\ndirect\n0.000000 0.000000 0.753420 Ca\n0.000000 0.000000 0.246580 Ca\n0.500000 0.500000 0.500000 Tl\n0.500000 0.500000 -0.000000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Tl",
"Cd"
],
"chemical_system": "Ca-Cd-Tl",
"density": 5.879556212428709,
"density_atomic": 0.03567954490001819,
"volume": 112.10905327433032,
"volume_molar": 16.878412482208905,
"formula_full": "Ca2 Tl1 Cd1",
"formula_reduced": "Ca2TlCd",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 123
},
{
"id": "jvasp-102270",
"created_at": "2022-09-04T14:36:44.932491Z",
"updated_at": "2022-09-04T14:36:44.932512Z",
"structure_string": "Rb3 As1 Br6\n1.0\n7.104231 -0.000000 4.101630\n2.368077 6.697933 4.101630\n-0.000000 -0.000000 8.203260\nRb As Br\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 As\n0.771124 0.228875 0.228876 Br\n0.228876 0.228875 0.771125 Br\n0.228876 0.771124 0.771125 Br\n0.228876 0.771124 0.228876 Br\n0.771124 0.228875 0.771125 Br\n0.771125 0.771124 0.228876 Br\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"As",
"Br"
],
"chemical_system": "As-Br-Rb",
"density": 3.448983916472596,
"density_atomic": 0.02561861517085043,
"volume": 390.3411614292984,
"volume_molar": 23.506894185491177,
"formula_full": "Rb3 As1 Br6",
"formula_reduced": "Rb3AsBr6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-4128",
"created_at": "2022-09-04T14:36:50.749090Z",
"updated_at": "2022-09-04T14:36:50.749116Z",
"structure_string": "Ac2 Br2 O2\n1.0\n4.311273 0.000000 0.000000\n0.000000 4.311273 -0.000000\n0.000000 -0.000000 7.511983\nAc Br O\n2 2 2\ndirect\n0.000000 0.500000 0.833048 Ac\n0.500000 0.000000 0.166951 Ac\n0.500000 0.000000 0.633671 Br\n0.000000 0.500000 0.366328 Br\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ac",
"Br",
"O"
],
"chemical_system": "Ac-Br-O",
"density": 7.680439386339298,
"density_atomic": 0.042972003793549915,
"volume": 139.62579052226087,
"volume_molar": 14.014102737522148,
"formula_full": "Ac2 Br2 O2",
"formula_reduced": "AcBrO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 129
},
{
"id": "jvasp-19072",
"created_at": "2022-09-04T14:37:03.170028Z",
"updated_at": "2022-09-04T14:37:03.170048Z",
"structure_string": "Na4 Zn4 F12\n1.0\n5.419848 -0.000000 0.000000\n0.000000 5.647832 0.000000\n0.000000 0.000000 7.808711\nNa Zn F\n4 4 12\ndirect\n0.017744 0.938298 0.750000 Na\n0.517744 0.561701 0.250000 Na\n0.482257 0.438298 0.750000 Na\n0.982257 0.061701 0.250000 Na\n0.500000 0.000000 0.500000 Zn\n0.000000 0.500000 0.500000 Zn\n0.000000 0.500000 0.000000 Zn\n0.500000 0.000000 0.000000 Zn\n0.612300 0.042114 0.750000 F\n0.112300 0.457886 0.250000 F\n0.693385 0.301703 0.058507 F\n0.193384 0.198297 0.941493 F\n0.806616 0.801702 0.441493 F\n0.193384 0.198297 0.558507 F\n0.306616 0.698297 0.941493 F\n0.806616 0.801702 0.058507 F\n0.387700 0.957886 0.250000 F\n0.693385 0.301703 0.441493 F\n0.306616 0.698297 0.558507 F\n0.887700 0.542114 0.750000 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Na",
"Zn",
"F"
],
"chemical_system": "F-Na-Zn",
"density": 4.0402411157193585,
"density_atomic": 0.08367231194522509,
"volume": 239.02769667811643,
"volume_molar": 7.1972921746710075,
"formula_full": "Na4 Zn4 F12",
"formula_reduced": "NaZnF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-102462",
"created_at": "2022-09-04T14:36:45.034469Z",
"updated_at": "2022-09-04T14:36:45.034488Z",
"structure_string": "Ca1 Yb1 Cd2\n1.0\n4.621311 -0.000000 2.668115\n1.540437 4.357013 2.668115\n-0.000000 -0.000000 5.336230\nYb Ca Cd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.499999 Ca\n0.750001 0.749999 0.749999 Cd\n0.250000 0.250000 0.250000 Cd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"Ca",
"Cd"
],
"chemical_system": "Ca-Cd-Yb",
"density": 6.768230169477203,
"density_atomic": 0.03722814521693007,
"volume": 107.44558926295738,
"volume_molar": 16.176311564566852,
"formula_full": "Ca1 Yb1 Cd2",
"formula_reduced": "CaYbCd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-14760",
"created_at": "2022-09-04T14:36:44.886754Z",
"updated_at": "2022-09-04T14:36:44.886772Z",
"structure_string": "Ca1 Tl3\n1.0\n4.840921 -0.000000 -0.000000\n0.000000 4.840921 -0.000000\n-0.000000 0.000000 4.840921\nCa Tl\n1 3\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Tl\n0.500000 0.500000 0.000000 Tl\n0.500000 0.000000 0.500000 Tl\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ca",
"Tl"
],
"chemical_system": "Ca-Tl",
"density": 9.56158382970505,
"density_atomic": 0.03525948829247649,
"volume": 113.44464125004053,
"volume_molar": 17.07948995188616,
"formula_full": "Ca1 Tl3",
"formula_reduced": "CaTl3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 221
},
{
"id": "jvasp-101626",
"created_at": "2022-09-04T14:36:44.816004Z",
"updated_at": "2022-09-04T14:36:44.816029Z",
"structure_string": "Yb2 Zn1 Hg1\n1.0\n4.450743 -0.000000 2.569638\n1.483581 4.196201 2.569638\n-0.000000 -0.000000 5.139276\nYb Zn Hg\n2 1 1\ndirect\n0.250000 0.250000 0.250001 Yb\n0.749999 0.750000 0.750002 Yb\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500001 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"Zn",
"Hg"
],
"chemical_system": "Hg-Yb-Zn",
"density": 10.589265438524452,
"density_atomic": 0.04167438976853311,
"volume": 95.98220927089042,
"volume_molar": 14.450459367126976,
"formula_full": "Yb2 Zn1 Hg1",
"formula_reduced": "Yb2ZnHg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-15383",
"created_at": "2022-09-04T14:37:02.601726Z",
"updated_at": "2022-09-04T14:37:02.601746Z",
"structure_string": "Ca1 Cu2 Ge2\n1.0\n3.891167 0.000000 -1.459173\n-0.547184 3.852502 -1.459173\n-0.004032 -0.004645 5.907110\nCa Cu Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.750001 0.250001 0.500001 Cu\n0.250001 0.750000 0.500001 Cu\n0.378054 0.378054 0.756108 Ge\n0.621948 0.621947 0.243894 Ge\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Cu",
"Ge"
],
"chemical_system": "Ca-Cu-Ge",
"density": 5.862604558443993,
"density_atomic": 0.05649772744978105,
"volume": 88.49913484474811,
"volume_molar": 10.65908494346588,
"formula_full": "Ca1 Cu2 Ge2",
"formula_reduced": "Ca(CuGe)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.0,
"spacegroup": 139
}
]
}