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=636",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=634",
"results": [
{
"id": "jvasp-108022",
"created_at": "2022-09-04T14:35:57.886867Z",
"updated_at": "2022-09-04T14:35:57.886893Z",
"structure_string": "Rb2 Cu1 F6\n1.0\n5.131300 -0.000000 2.962557\n1.710433 4.837836 2.962557\n-0.000000 -0.000000 5.925115\nRb Cu F\n2 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.749999 0.750001 0.750000 Rb\n0.000000 0.000000 0.000000 Cu\n0.778309 0.221691 0.221691 F\n0.221690 0.778310 0.778309 F\n0.221690 0.778310 0.221691 F\n0.778309 0.221691 0.778309 F\n0.221690 0.221691 0.778309 F\n0.778309 0.778310 0.221691 F\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Rb",
"Cu",
"F"
],
"chemical_system": "Cu-F-Rb",
"density": 3.9340663220136136,
"density_atomic": 0.06118812951360163,
"volume": 147.0873529153947,
"volume_molar": 9.842008258581147,
"formula_full": "Rb2 Cu1 F6",
"formula_reduced": "Rb2CuF6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-107979",
"created_at": "2022-09-04T14:35:57.965484Z",
"updated_at": "2022-09-04T14:35:57.965502Z",
"structure_string": "Sc2 Cd1 Hg1\n1.0\n4.299768 -0.000000 2.482472\n1.433256 4.053860 2.482472\n-0.000000 -0.000000 4.964944\nSc Cd Hg\n2 1 1\ndirect\n0.750001 0.750000 0.749998 Sc\n0.250000 0.250000 0.249999 Sc\n0.500001 0.500000 0.499999 Cd\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Cd",
"Hg"
],
"chemical_system": "Cd-Hg-Sc",
"density": 7.730935750106991,
"density_atomic": 0.04622020500370027,
"volume": 86.54223839292297,
"volume_molar": 13.029238532191458,
"formula_full": "Sc2 Cd1 Hg1",
"formula_reduced": "Sc2CdHg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6727744375,
"spacegroup": 225
},
{
"id": "jvasp-63730",
"created_at": "2022-09-04T14:35:58.083361Z",
"updated_at": "2022-09-04T14:35:58.083388Z",
"structure_string": "Yb1 In1 Au2\n1.0\n-0.000000 3.482453 3.482453\n3.482453 0.000000 3.482453\n3.482453 3.482453 -0.000000\nYb In Au\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 In\n0.749999 0.749999 0.749999 Au\n0.250000 0.250000 0.250000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"In",
"Au"
],
"chemical_system": "Au-In-Yb",
"density": 13.403390242028493,
"density_atomic": 0.04735591193712474,
"volume": 84.46675053604434,
"volume_molar": 12.716766531696614,
"formula_full": "Yb1 In1 Au2",
"formula_reduced": "YbInAu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0934443924999999,
"spacegroup": 225
},
{
"id": "jvasp-74855",
"created_at": "2022-09-04T14:35:58.086973Z",
"updated_at": "2022-09-04T14:35:58.086996Z",
"structure_string": "Be1 Os1 Br2\n1.0\n-2.291187 2.291187 3.240397\n2.291187 -2.291187 3.240397\n2.291187 2.291187 -3.240397\nBe Os Br\n1 1 2\ndirect\n0.750001 0.250000 0.500001 Be\n0.250000 0.750001 0.500001 Os\n0.000000 0.000000 0.000000 Br\n0.500001 0.500001 0.000000 Br\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Os",
"Br"
],
"chemical_system": "Be-Br-Os",
"density": 8.7624380984458,
"density_atomic": 0.058786919815974996,
"volume": 68.04234704797416,
"volume_molar": 10.24401478909177,
"formula_full": "Be1 Os1 Br2",
"formula_reduced": "BeOsBr2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.2289598275,
"spacegroup": 225
},
{
"id": "jvasp-1222",
"created_at": "2022-09-04T14:35:58.196565Z",
"updated_at": "2022-09-04T14:35:58.196584Z",
"structure_string": "U5 O10\n1.0\n3.321518 0.000915 1.914723\n1.106751 3.130364 1.916949\n0.012862 -0.004552 19.169494\nU O\n5 10\ndirect\n0.682746 0.783363 0.150105 U\n0.682838 0.783310 0.350108 U\n0.682822 0.783324 0.550106 U\n0.682804 0.783326 0.750109 U\n0.682788 0.783344 0.950105 U\n0.932774 0.033359 0.000102 O\n0.432748 0.533362 0.100105 O\n0.932836 0.033315 0.400108 O\n0.932738 0.033355 0.200110 O\n0.432840 0.533313 0.300107 O\n0.432843 0.533321 0.500103 O\n0.932787 0.033326 0.800112 O\n0.932806 0.033332 0.600106 O\n0.432811 0.533319 0.700110 O\n0.432817 0.533340 0.900101 O\n",
"nsites": 15,
"nelements": 2,
"elements": [
"U",
"O"
],
"chemical_system": "O-U",
"density": 11.252615005669076,
"density_atomic": 0.0752865305997434,
"volume": 199.23882639441382,
"volume_molar": 7.998961716029089,
"formula_full": "U5 O10",
"formula_reduced": "UO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.0081176666666667,
"spacegroup": 225
},
{
"id": "jvasp-56540",
"created_at": "2022-09-04T14:35:58.216396Z",
"updated_at": "2022-09-04T14:35:58.216423Z",
"structure_string": "Rb2 Nb1 Cl6\n1.0\n6.168630 -0.149041 -3.438499\n-4.004749 5.815964 -0.184498\n-0.102626 0.149041 7.061498\nRb Nb Cl\n2 1 6\ndirect\n0.499999 0.750000 0.249999 Rb\n0.499999 0.250000 0.750000 Rb\n0.000000 0.000000 0.000000 Nb\n-0.000000 0.244103 0.244103 Cl\n-0.000001 0.755896 0.755896 Cl\n-0.000001 0.756007 0.243992 Cl\n0.512014 0.756007 0.756007 Cl\n-0.000001 0.243992 0.756008 Cl\n0.487985 0.243992 0.243992 Cl\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Rb",
"Nb",
"Cl"
],
"chemical_system": "Cl-Nb-Rb",
"density": 3.1743496282022923,
"density_atomic": 0.036101945153230605,
"volume": 249.2940466725691,
"volume_molar": 16.680931552135785,
"formula_full": "Rb2 Nb1 Cl6",
"formula_reduced": "Rb2NbCl6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.363363756111111,
"spacegroup": 225
},
{
"id": "jvasp-18587",
"created_at": "2022-09-04T14:35:58.330524Z",
"updated_at": "2022-09-04T14:35:58.330540Z",
"structure_string": "Sc1 In1 Ag2\n1.0\n4.144260 -0.000000 2.392689\n1.381420 3.907246 2.392689\n0.000000 0.000000 4.785379\nSc In Ag\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Sc\n0.000000 0.000000 0.000000 In\n0.750000 0.750001 0.750000 Ag\n0.250000 0.250000 0.250000 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"In",
"Ag"
],
"chemical_system": "Ag-In-Sc",
"density": 8.04705327419842,
"density_atomic": 0.05162093928029191,
"volume": 77.48793524040232,
"volume_molar": 11.66608133048668,
"formula_full": "Sc1 In1 Ag2",
"formula_reduced": "ScInAg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.3126349349999999,
"spacegroup": 225
},
{
"id": "jvasp-105676",
"created_at": "2022-09-04T14:35:58.370330Z",
"updated_at": "2022-09-04T14:35:58.370365Z",
"structure_string": "Rb2 Nb1 Hg1 F6\n1.0\n5.964843 0.000000 3.443803\n1.988281 5.623708 3.443803\n0.000000 0.000000 6.887608\nRb Nb Hg F\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 0.500000 Hg\n0.793721 0.206279 0.206278 F\n0.206278 0.206279 0.793722 F\n0.206278 0.793722 0.793721 F\n0.206278 0.793722 0.206278 F\n0.793721 0.206279 0.793721 F\n0.793721 0.793722 0.206278 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Nb",
"Hg",
"F"
],
"chemical_system": "F-Hg-Nb-Rb",
"density": 4.157229480112052,
"density_atomic": 0.04328224692566177,
"volume": 231.0416096737127,
"volume_molar": 13.913650948720756,
"formula_full": "Rb2 Nb1 Hg1 F6",
"formula_reduced": "Rb2NbHgF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-22729",
"created_at": "2022-09-04T14:35:58.417168Z",
"updated_at": "2022-09-04T14:35:58.417189Z",
"structure_string": "Sr2 Sb1 Au1\n1.0\n0.000000 3.930797 3.930797\n3.930797 0.000000 3.930797\n3.930797 3.930797 -0.000000\nSr Sb Au\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Sr\n0.750000 0.750000 0.750000 Sb\n0.249999 0.249999 0.249999 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sr",
"Sb",
"Au"
],
"chemical_system": "Au-Sb-Sr",
"density": 6.752658882960004,
"density_atomic": 0.03292972833673902,
"volume": 121.47078649104076,
"volume_molar": 18.28785436192385,
"formula_full": "Sr2 Sb1 Au1",
"formula_reduced": "Sr2SbAu",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0055649999999999,
"spacegroup": 225
},
{
"id": "jvasp-42852",
"created_at": "2022-09-04T14:35:58.799883Z",
"updated_at": "2022-09-04T14:35:58.799910Z",
"structure_string": "Pr2 Cu1 Ir1\n1.0\n0.000001 3.585900 3.585900\n3.585899 0.000002 3.585899\n3.585899 3.585900 0.000001\nPr Cu Ir\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Pr\n0.499999 0.499999 0.499999 Pr\n0.250000 0.250000 0.250000 Cu\n0.750000 0.750000 0.750000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pr",
"Cu",
"Ir"
],
"chemical_system": "Cu-Ir-Pr",
"density": 9.679807765491423,
"density_atomic": 0.04337464136009604,
"volume": 92.21978267882427,
"volume_molar": 13.88401280371224,
"formula_full": "Pr2 Cu1 Ir1",
"formula_reduced": "Pr2CuIr",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.7744753125000003,
"spacegroup": 225
},
{
"id": "jvasp-1318",
"created_at": "2022-09-04T14:35:58.817397Z",
"updated_at": "2022-09-04T14:35:58.817423Z",
"structure_string": "Ca1 Te1\n1.0\n3.889732 -0.000000 2.245738\n1.296578 3.667274 2.245738\n-0.000000 -0.000000 4.491475\nCa Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.499999 0.500000 Te\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ca",
"Te"
],
"chemical_system": "Ca-Te",
"density": 4.34583423489446,
"density_atomic": 0.03121605158840821,
"volume": 64.06960195897041,
"volume_molar": 19.291808071704576,
"formula_full": "Ca1 Te1",
"formula_reduced": "CaTe",
"formula_anonymous": "AB",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-88694",
"created_at": "2022-09-04T14:35:58.919752Z",
"updated_at": "2022-09-04T14:35:58.919778Z",
"structure_string": "Ni21 Sn2 P6\n1.0\n6.835419 0.000000 3.946432\n2.278473 6.444496 3.946432\n0.000000 0.000000 7.892862\nNi Sn P\n21 2 6\ndirect\n-0.000000 0.652068 -0.000000 Ni\n0.000000 0.000000 0.000000 Ni\n0.383543 0.383543 0.383543 Ni\n0.616457 0.616457 0.150629 Ni\n0.383543 0.383543 0.849370 Ni\n-0.000000 0.347932 -0.000000 Ni\n0.347932 0.652068 -0.000000 Ni\n0.652068 -0.000000 0.347932 Ni\n0.652068 -0.000000 -0.000000 Ni\n-0.000000 -0.000000 0.347932 Ni\n0.616457 0.150630 0.616456 Ni\n0.616457 0.616457 0.616456 Ni\n0.849370 0.383543 0.383543 Ni\n0.347932 -0.000000 -0.000000 Ni\n-0.000000 0.347932 0.652068 Ni\n0.347932 -0.000000 0.652068 Ni\n-0.000000 0.652068 0.347932 Ni\n0.150629 0.616457 0.616456 Ni\n-0.000000 -0.000000 0.652068 Ni\n0.383543 0.849371 0.383543 Ni\n0.652068 0.347932 -0.000000 Ni\n0.250000 0.250000 0.250000 Sn\n0.750000 0.750000 0.749999 Sn\n0.737771 0.262229 0.262228 P\n0.737771 0.262229 0.737771 P\n0.262228 0.737772 0.737771 P\n0.262228 0.262229 0.737771 P\n0.737771 0.737772 0.262228 P\n0.262228 0.737772 0.262228 P\n",
"nsites": 29,
"nelements": 3,
"elements": [
"Ni",
"Sn",
"P"
],
"chemical_system": "Ni-P-Sn",
"density": 7.908145549104848,
"density_atomic": 0.08340832284123416,
"volume": 347.6871253627871,
"volume_molar": 7.22007175646369,
"formula_full": "Ni21 Sn2 P6",
"formula_reduced": "Ni21(SnP3)2",
"formula_anonymous": "A2B6C21",
"energy_above_hull": 1.7803702344827586,
"spacegroup": 225
}
]
}