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=584",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=582",
"results": [
{
"id": "jvasp-3486",
"created_at": "2022-09-04T14:36:54.707818Z",
"updated_at": "2022-09-04T14:36:54.707836Z",
"structure_string": "Cd1 In2 Te4\n1.0\n5.779153 0.000001 -2.586017\n-1.157174 5.662116 -2.586016\n-0.007075 -0.008669 7.734736\nCd In Te\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 -0.000000 In\n0.250000 0.750000 0.500000 In\n0.417720 0.362809 0.277151 Te\n0.085658 0.582280 0.722849 Te\n0.637190 0.140569 0.722848 Te\n0.859431 0.914343 0.277151 Te\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Cd",
"In",
"Te"
],
"chemical_system": "Cd-In-Te",
"density": 5.598514796608693,
"density_atomic": 0.027685628449205715,
"volume": 252.83876119491975,
"volume_molar": 21.75186584999761,
"formula_full": "Cd1 In2 Te4",
"formula_reduced": "Cd(InTe2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.0747958223809523,
"spacegroup": 82
},
{
"id": "jvasp-68683",
"created_at": "2022-09-04T14:35:44.176726Z",
"updated_at": "2022-09-04T14:35:44.176745Z",
"structure_string": "Na2 Be1 Cl1\n1.0\n-1.980956 1.980956 6.435692\n1.980956 -1.980956 6.435692\n1.980956 1.980956 -6.435692\nNa Be Cl\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.250000 0.750001 0.500001 Na\n0.500000 0.500000 0.000000 Be\n0.750001 0.250000 0.500001 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Na",
"Be",
"Cl"
],
"chemical_system": "Be-Cl-Na",
"density": 1.4867139531059272,
"density_atomic": 0.03959634412321288,
"volume": 101.0194271358261,
"volume_molar": 15.20883024266271,
"formula_full": "Na2 Be1 Cl1",
"formula_reduced": "Na2BeCl",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.074827041875,
"spacegroup": 119
},
{
"id": "jvasp-90372",
"created_at": "2022-09-04T14:36:11.691628Z",
"updated_at": "2022-09-04T14:36:11.691642Z",
"structure_string": "Rb2 Cr1 F6\n1.0\n5.189063 -0.000000 2.995907\n1.729688 4.892296 2.995907\n-0.000000 0.000000 5.991814\nRb Cr F\n2 1 6\ndirect\n0.750000 0.750001 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Cr\n0.218105 0.781896 0.781895 F\n0.218105 0.781896 0.218105 F\n0.781895 0.218105 0.781895 F\n0.781895 0.218105 0.218105 F\n0.781895 0.781896 0.218105 F\n0.218105 0.218105 0.781895 F\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Rb",
"Cr",
"F"
],
"chemical_system": "Cr-F-Rb",
"density": 3.6780584698691796,
"density_atomic": 0.059167404325899245,
"volume": 152.1107796182373,
"volume_molar": 10.178139177492936,
"formula_full": "Rb2 Cr1 F6",
"formula_reduced": "Rb2CrF6",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0748455011111107,
"spacegroup": 225
},
{
"id": "jvasp-105092",
"created_at": "2022-09-04T14:36:49.417100Z",
"updated_at": "2022-09-04T14:36:49.417129Z",
"structure_string": "Cu1 Cl2\n1.0\n4.517915 0.000000 0.000000\n0.000000 4.517915 0.000000\n0.000000 0.000000 3.680498\nCu Cl\n1 2\ndirect\n0.000000 0.000000 0.000000 Cu\n0.500001 0.000000 -0.000000 Cl\n-0.000000 0.500001 -0.000000 Cl\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Cu",
"Cl"
],
"chemical_system": "Cl-Cu",
"density": 2.9718964042870493,
"density_atomic": 0.03993360859698486,
"volume": 75.12469084064973,
"volume_molar": 15.080382093129181,
"formula_full": "Cu1 Cl2",
"formula_reduced": "CuCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0749799999999999,
"spacegroup": 123
},
{
"id": "jvasp-91653",
"created_at": "2022-09-04T14:35:43.854654Z",
"updated_at": "2022-09-04T14:35:43.854680Z",
"structure_string": "Mg6 In2\n1.0\n0.000000 -0.000000 -5.233027\n-3.157523 -5.468946 -0.000000\n-3.157523 5.468946 0.000000\nMg In\n6 2\ndirect\n0.750000 0.166315 0.332624 Mg\n0.750000 0.166311 0.833689 Mg\n0.750000 0.667375 0.833684 Mg\n0.250000 0.833684 0.667375 Mg\n0.250000 0.833689 0.166311 Mg\n0.250000 0.332624 0.166315 Mg\n0.750000 0.666669 0.333330 In\n0.250000 0.333330 0.666669 In\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"In"
],
"chemical_system": "In-Mg",
"density": 3.449741746972263,
"density_atomic": 0.04426463198924986,
"volume": 180.73119871284337,
"volume_molar": 13.60485897965342,
"formula_full": "Mg6 In2",
"formula_reduced": "Mg3In",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0751783333333333,
"spacegroup": 194
},
{
"id": "jvasp-176",
"created_at": "2022-09-04T14:37:28.293070Z",
"updated_at": "2022-09-04T14:37:28.293091Z",
"structure_string": "Sb2 I6\n1.0\n6.654466 0.023797 4.682924\n2.443504 6.189649 4.682926\n0.034843 0.023793 8.136982\nSb I\n2 6\ndirect\n0.167477 0.167477 0.167477 Sb\n0.832522 0.832523 0.832523 Sb\n0.416229 0.077210 0.747444 I\n0.747444 0.416229 0.077209 I\n0.077209 0.747444 0.416229 I\n0.583771 0.922791 0.252556 I\n0.252555 0.583771 0.922791 I\n0.922790 0.252556 0.583771 I\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Sb",
"I"
],
"chemical_system": "I-Sb",
"density": 5.00820064850543,
"density_atomic": 0.024009301722091654,
"volume": 333.20419279995,
"volume_molar": 25.082531885793472,
"formula_full": "Sb2 I6",
"formula_reduced": "SbI3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.07526123125,
"spacegroup": 148
},
{
"id": "jvasp-110725",
"created_at": "2022-09-04T14:38:48.225742Z",
"updated_at": "2022-09-04T14:38:48.225768Z",
"structure_string": "Cu1 I2\n1.0\n5.233325 -0.000000 0.000000\n0.000000 5.233325 0.000000\n0.000000 -0.000000 4.204480\nCu I\n1 2\ndirect\n0.000000 0.000000 0.000000 Cu\n-0.000000 0.500000 -0.000000 I\n0.500000 0.000000 -0.000000 I\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Cu",
"I"
],
"chemical_system": "Cu-I",
"density": 4.576428243962742,
"density_atomic": 0.026052748767081454,
"volume": 115.1509971873142,
"volume_molar": 23.115183790545675,
"formula_full": "Cu1 I2",
"formula_reduced": "CuI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0753366666666666,
"spacegroup": 123
},
{
"id": "jvasp-79550",
"created_at": "2022-09-04T14:38:04.373675Z",
"updated_at": "2022-09-04T14:38:04.373693Z",
"structure_string": "Na2 I2\n1.0\n4.405111 0.000000 -0.000000\n-0.000000 4.405111 0.000000\n-2.202556 -2.202556 7.550137\nNa I\n2 2\ndirect\n0.125000 0.375000 0.250000 Na\n0.874999 0.624999 0.750000 Na\n0.625000 0.875000 0.250000 I\n0.374999 0.124999 0.750000 I\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Na",
"I"
],
"chemical_system": "I-Na",
"density": 3.3977818405169704,
"density_atomic": 0.027301810424100067,
"volume": 146.51043054892392,
"volume_molar": 22.057660889345602,
"formula_full": "Na2 I2",
"formula_reduced": "NaI",
"formula_anonymous": "AB",
"energy_above_hull": 0.0753949999999999,
"spacegroup": 141
},
{
"id": "jvasp-25344",
"created_at": "2022-09-04T14:37:51.581720Z",
"updated_at": "2022-09-04T14:37:51.581752Z",
"structure_string": "Mn1\n1.0\n2.142782 -0.000000 1.237136\n0.714261 2.020235 1.237136\n0.000000 -0.000000 2.474272\nMn\n1\ndirect\n0.000000 0.000000 0.000000 Mn\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Mn"
],
"chemical_system": "Mn",
"density": 8.517163364313621,
"density_atomic": 0.09336254443261868,
"volume": 10.710933448495684,
"volume_molar": 6.450274889783321,
"formula_full": "Mn1",
"formula_reduced": "Mn",
"formula_anonymous": "A",
"energy_above_hull": 0.0755800000000004,
"spacegroup": 225
},
{
"id": "jvasp-16080",
"created_at": "2022-09-04T14:35:47.290733Z",
"updated_at": "2022-09-04T14:35:47.290761Z",
"structure_string": "Mn1\n1.0\n2.142782 -0.000000 1.237136\n0.714261 2.020235 1.237136\n-0.000000 0.000000 2.474272\nMn\n1\ndirect\n0.000000 0.000000 0.000000 Mn\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Mn"
],
"chemical_system": "Mn",
"density": 8.517163364313621,
"density_atomic": 0.09336254443261868,
"volume": 10.710933448495684,
"volume_molar": 6.450274889783321,
"formula_full": "Mn1",
"formula_reduced": "Mn",
"formula_anonymous": "A",
"energy_above_hull": 0.0755800000000004,
"spacegroup": 225
},
{
"id": "jvasp-106934",
"created_at": "2022-09-04T14:36:58.354861Z",
"updated_at": "2022-09-04T14:36:58.354895Z",
"structure_string": "Ca3 Sm1\n1.0\n5.151240 -0.000000 2.974070\n1.717080 4.856636 2.974070\n-0.000000 -0.000000 5.948140\nCa Sm\n3 1\ndirect\n0.250000 0.250000 0.250000 Ca\n0.750000 0.750001 0.750000 Ca\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Sm\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ca",
"Sm"
],
"chemical_system": "Ca-Sm",
"density": 3.019525759864063,
"density_atomic": 0.02688013653019852,
"volume": 148.8087679728187,
"volume_molar": 22.403683676362355,
"formula_full": "Ca3 Sm1",
"formula_reduced": "Ca3Sm",
"formula_anonymous": "AB3",
"energy_above_hull": 0.07569003375,
"spacegroup": 225
},
{
"id": "jvasp-113479",
"created_at": "2022-09-04T14:38:45.052756Z",
"updated_at": "2022-09-04T14:38:45.052783Z",
"structure_string": "Ba2 I1\n1.0\n4.750471 -0.405215 0.246282\n-0.615551 -7.230801 -0.023034\n0.100369 -1.536639 -4.464507\nBa I\n2 1\ndirect\n0.545625 0.081918 0.455748 Ba\n0.045627 0.489146 0.752096 Ba\n0.045623 0.912026 0.040699 I\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Ba",
"I"
],
"chemical_system": "Ba-I",
"density": 4.309949913570876,
"density_atomic": 0.019390793866489623,
"volume": 154.71259303026667,
"volume_molar": 31.05670041909536,
"formula_full": "Ba2 I1",
"formula_reduced": "Ba2I",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0757619899999999,
"spacegroup": 38
}
]
}