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=4010",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=4008",
"results": [
{
"id": "jvasp-38764",
"created_at": "2022-09-04T14:35:56.133648Z",
"updated_at": "2022-09-04T14:35:56.133673Z",
"structure_string": "Zn1 Fe1 Rh2\n1.0\n0.000008 3.005307 3.005308\n3.005315 0.000004 3.005313\n3.005317 3.005312 0.000002\nZn Fe Rh\n1 1 2\ndirect\n0.749997 0.750000 0.750000 Zn\n0.249998 0.250000 0.249999 Fe\n0.499999 0.500001 0.500000 Rh\n-0.000002 1.000000 0.000001 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zn",
"Fe",
"Rh"
],
"chemical_system": "Fe-Rh-Zn",
"density": 10.004271946941923,
"density_atomic": 0.07368215356167568,
"volume": 54.287229765234784,
"volume_molar": 8.17313347791764,
"formula_full": "Zn1 Fe1 Rh2",
"formula_reduced": "ZnFeRh2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.849062975,
"spacegroup": 225
},
{
"id": "jvasp-88004",
"created_at": "2022-09-04T14:35:56.166789Z",
"updated_at": "2022-09-04T14:35:56.166821Z",
"structure_string": "Ba2 Mn1 Re1 O6\n1.0\n5.009369 0.000000 2.892160\n1.669789 4.722877 2.892160\n-0.000000 -0.000000 5.784320\nBa Mn Re O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.749999 0.749999 0.750001 Ba\n0.000000 0.000000 0.000000 Mn\n0.500001 0.500000 0.500000 Re\n0.260338 0.739663 0.739660 O\n0.260338 0.739663 0.260337 O\n0.739663 0.260338 0.739661 O\n0.260339 0.260338 0.739662 O\n0.739663 0.260338 0.260337 O\n0.739662 0.739663 0.260338 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Mn",
"Re",
"O"
],
"chemical_system": "Ba-Mn-O-Re",
"density": 7.423579548488399,
"density_atomic": 0.07307318379839157,
"volume": 136.8491077053647,
"volume_molar": 8.24124589482107,
"formula_full": "Ba2 Mn1 Re1 O6",
"formula_reduced": "Ba2MnReO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.773985818137931,
"spacegroup": 225
},
{
"id": "jvasp-105802",
"created_at": "2022-09-04T14:35:56.229310Z",
"updated_at": "2022-09-04T14:35:56.229330Z",
"structure_string": "Li1 Zr1 Pd2\n1.0\n3.931420 0.000000 2.269806\n1.310473 3.706577 2.269806\n0.000000 0.000000 4.539613\nLi Zr Pd\n1 1 2\ndirect\n0.500000 0.500000 0.500001 Li\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 Pd\n0.749999 0.750001 0.750001 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Zr",
"Pd"
],
"chemical_system": "Li-Pd-Zr",
"density": 7.806838018389117,
"density_atomic": 0.06046703744763682,
"volume": 66.15174430306621,
"volume_molar": 9.959377892814821,
"formula_full": "Li1 Zr1 Pd2",
"formula_reduced": "LiZrPd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.9267814750000003,
"spacegroup": 225
},
{
"id": "jvasp-72904",
"created_at": "2022-09-04T14:35:56.202854Z",
"updated_at": "2022-09-04T14:35:56.202874Z",
"structure_string": "Ca1 Be2 Si1\n1.0\n-2.150493 2.150493 3.040190\n2.150493 -2.150493 3.040190\n2.150493 2.150493 -3.040190\nCa Be Si\n1 2 1\ndirect\n0.250000 0.749999 0.499999 Ca\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 0.000000 Be\n0.749999 0.250000 0.499999 Si\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Be",
"Si"
],
"chemical_system": "Be-Ca-Si",
"density": 2.544827980398139,
"density_atomic": 0.07112515197378699,
"volume": 56.238895650784556,
"volume_molar": 8.46696364489941,
"formula_full": "Ca1 Be2 Si1",
"formula_reduced": "CaBe2Si",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.6689953049999997,
"spacegroup": 225
},
{
"id": "jvasp-92310",
"created_at": "2022-09-04T14:35:56.285662Z",
"updated_at": "2022-09-04T14:35:56.285689Z",
"structure_string": "Mg4 Sb4\n1.0\n5.943981 -0.000000 -0.000000\n-0.000000 5.943981 0.000000\n0.000000 0.000000 5.943981\nMg Sb\n4 4\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.500000 Sb\n0.000000 0.500000 0.000000 Sb\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"Sb"
],
"chemical_system": "Mg-Sb",
"density": 4.619798295102967,
"density_atomic": 0.03809410279742916,
"volume": 210.00625851568532,
"volume_molar": 15.80859061578007,
"formula_full": "Mg4 Sb4",
"formula_reduced": "MgSb",
"formula_anonymous": "AB",
"energy_above_hull": 0.5202676142857144,
"spacegroup": 225
},
{
"id": "jvasp-14958",
"created_at": "2022-09-04T14:35:56.298060Z",
"updated_at": "2022-09-04T14:35:56.298086Z",
"structure_string": "Se1 S1\n1.0\n3.338030 0.000000 1.927212\n1.112677 3.147124 1.927212\n0.000000 -0.000000 3.854424\nSe S\n1 1\ndirect\n0.500001 0.499999 0.499999 Se\n0.000000 0.000000 0.000000 S\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Se",
"S"
],
"chemical_system": "S-Se",
"density": 4.5530907028358865,
"density_atomic": 0.049393115271336344,
"volume": 40.491473133718976,
"volume_molar": 12.192267539550699,
"formula_full": "Se1 S1",
"formula_reduced": "SeS",
"formula_anonymous": "AB",
"energy_above_hull": 1.2420166833333337,
"spacegroup": 225
},
{
"id": "jvasp-14972",
"created_at": "2022-09-04T14:35:56.308599Z",
"updated_at": "2022-09-04T14:35:56.308613Z",
"structure_string": "Np1 N1\n1.0\n2.983283 -0.000000 1.722399\n0.994427 2.812667 1.722399\n-0.000000 -0.000000 3.444800\nNp N\n1 1\ndirect\n0.500000 0.500001 0.500000 Np\n0.000000 0.000000 0.000000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Np",
"N"
],
"chemical_system": "N-Np",
"density": 14.419746578978334,
"density_atomic": 0.06919157429036377,
"volume": 28.90525357331749,
"volume_molar": 8.703575286100547,
"formula_full": "Np1 N1",
"formula_reduced": "NpN",
"formula_anonymous": "AB",
"energy_above_hull": 3.421491624999999,
"spacegroup": 225
},
{
"id": "jvasp-3657",
"created_at": "2022-09-04T14:35:56.937736Z",
"updated_at": "2022-09-04T14:35:56.937746Z",
"structure_string": "Rb2 Pt1 Cl6\n1.0\n6.049393 -0.000000 3.492619\n2.016464 5.703423 3.492619\n-0.000000 -0.000000 6.985237\nRb Pt Cl\n2 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.749999 0.750000 0.750001 Rb\n0.000000 0.000000 0.000000 Pt\n0.238153 0.761846 0.761848 Cl\n0.238153 0.761846 0.238154 Cl\n0.761846 0.238153 0.761848 Cl\n0.761846 0.238153 0.238154 Cl\n0.761846 0.761846 0.238154 Cl\n0.238153 0.238153 0.761847 Cl\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Rb",
"Pt",
"Cl"
],
"chemical_system": "Cl-Pt-Rb",
"density": 3.987514438028046,
"density_atomic": 0.037343410749486695,
"volume": 241.00637353066924,
"volume_molar": 16.126381171764756,
"formula_full": "Rb2 Pt1 Cl6",
"formula_reduced": "Rb2PtCl6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0307884227777777,
"spacegroup": 225
},
{
"id": "jvasp-14588",
"created_at": "2022-09-04T14:35:56.380369Z",
"updated_at": "2022-09-04T14:35:56.380395Z",
"structure_string": "Ir1\n1.0\n2.378171 0.000000 1.373038\n0.792724 2.242160 1.373038\n0.000000 0.000000 2.746074\nIr\n1\ndirect\n0.000000 0.000000 0.000000 Ir\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ir"
],
"chemical_system": "Ir",
"density": 21.79811686329485,
"density_atomic": 0.06829329773071884,
"volume": 14.642725321934375,
"volume_molar": 8.818055299870512,
"formula_full": "Ir1",
"formula_reduced": "Ir",
"formula_anonymous": "A",
"energy_above_hull": 1.0999999995320309e-06,
"spacegroup": 225
},
{
"id": "jvasp-105687",
"created_at": "2022-09-04T14:35:56.429241Z",
"updated_at": "2022-09-04T14:35:56.429262Z",
"structure_string": "Rb3 In1 Br6\n1.0\n7.138301 0.000000 4.121300\n2.379433 6.730055 4.121300\n0.000000 0.000000 8.242600\nRb In Br\n3 1 6\ndirect\n0.750000 0.749999 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 In\n0.770014 0.229985 0.229986 Br\n0.229986 0.229985 0.770015 Br\n0.229985 0.770014 0.770015 Br\n0.229985 0.770014 0.229986 Br\n0.770014 0.229985 0.770015 Br\n0.770014 0.770014 0.229986 Br\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Rb",
"In",
"Br"
],
"chemical_system": "Br-In-Rb",
"density": 3.5671384047968875,
"density_atomic": 0.02525354230036673,
"volume": 395.9840517048882,
"volume_molar": 23.846716980819544,
"formula_full": "Rb3 In1 Br6",
"formula_reduced": "Rb3InBr6",
"formula_anonymous": "AB3C6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-15647",
"created_at": "2022-09-04T14:35:56.559578Z",
"updated_at": "2022-09-04T14:35:56.559591Z",
"structure_string": "Er1 Sn1 Pd2\n1.0\n4.131532 -0.000000 2.385341\n1.377178 3.895245 2.385341\n0.000000 -0.000000 4.770682\nEr Sn Pd\n1 1 2\ndirect\n0.500000 0.500001 0.499999 Er\n0.000000 0.000000 0.000000 Sn\n0.750000 0.750001 0.749999 Pd\n0.250000 0.250000 0.250000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Er",
"Sn",
"Pd"
],
"chemical_system": "Er-Pd-Sn",
"density": 10.788399245573602,
"density_atomic": 0.05209950811182159,
"volume": 76.77615672329897,
"volume_molar": 11.55892056998817,
"formula_full": "Er1 Sn1 Pd2",
"formula_reduced": "ErSnPd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.055100775,
"spacegroup": 225
},
{
"id": "jvasp-65639",
"created_at": "2022-09-04T14:35:56.565196Z",
"updated_at": "2022-09-04T14:35:56.565211Z",
"structure_string": "Ba2 Ge1 Bi1\n1.0\n0.000000 4.193983 4.193983\n4.193983 0.000000 4.193983\n4.193983 4.193983 0.000000\nBa Ge Bi\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.749999 0.749999 0.749999 Ba\n0.500000 0.500000 0.500000 Ge\n0.000000 0.000000 0.000000 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ge",
"Bi"
],
"chemical_system": "Ba-Bi-Ge",
"density": 6.260776184182406,
"density_atomic": 0.027111278506457667,
"volume": 147.5400726324004,
"volume_molar": 22.212677128323474,
"formula_full": "Ba2 Ge1 Bi1",
"formula_reduced": "Ba2GeBi",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1532230475,
"spacegroup": 225
}
]
}