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=615",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-id&page=613",
"results": [
{
"id": "jvasp-8369",
"created_at": "2022-09-04T14:36:41.869745Z",
"updated_at": "2022-09-04T14:36:41.869773Z",
"structure_string": "Al2 Cu2 Se4\n1.0\n5.129606 0.000000 -2.346006\n-1.072938 5.016141 -2.346006\n0.028432 0.035156 6.843182\nAl Cu Se\n2 2 4\ndirect\n0.750000 0.250000 0.499999 Al\n0.500000 0.500000 -0.000001 Al\n0.250000 0.750000 0.499999 Cu\n0.000000 0.000000 0.000000 Cu\n0.378542 0.375000 0.249999 Se\n0.125000 0.621459 0.749999 Se\n0.625000 0.128542 0.750000 Se\n0.871458 0.875000 0.249999 Se\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Al",
"Cu",
"Se"
],
"chemical_system": "Al-Cu-Se",
"density": 4.663585840621506,
"density_atomic": 0.045216419605569214,
"volume": 176.9268789918664,
"volume_molar": 13.318482118956329,
"formula_full": "Al2 Cu2 Se4",
"formula_reduced": "AlCuSe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.8396624958333334,
"spacegroup": 122
},
{
"id": "jvasp-8368",
"created_at": "2022-09-04T14:37:05.008152Z",
"updated_at": "2022-09-04T14:37:05.008178Z",
"structure_string": "Sr2 Zn1 Cu2 S2 O2\n1.0\n3.933188 0.000000 -0.867707\n-0.191427 3.928527 -0.867707\n-0.003961 -0.004158 9.330175\nSr Zn Cu S O\n2 1 2 2 2\ndirect\n0.592244 0.592245 0.184487 Sr\n0.407756 0.407756 0.815512 Sr\n0.000000 0.000000 0.000000 Zn\n0.750000 0.250000 0.499999 Cu\n0.250000 0.750000 0.499999 Cu\n0.827657 0.827658 0.655314 S\n0.172342 0.172342 0.344685 S\n0.500000 -0.000000 -0.000000 O\n-0.000000 0.500000 -0.000000 O\n",
"nsites": 9,
"nelements": 5,
"elements": [
"Sr",
"Zn",
"Cu",
"S",
"O"
],
"chemical_system": "Cu-O-S-Sr-Zn",
"density": 5.34400027289466,
"density_atomic": 0.06244012800224206,
"volume": 144.13807735430706,
"volume_molar": 9.64466434114895,
"formula_full": "Sr2 Zn1 Cu2 S2 O2",
"formula_reduced": "Sr2ZnCu2(SO)2",
"formula_anonymous": "AB2C2D2E2",
"energy_above_hull": 0.4852567688888887,
"spacegroup": 139
},
{
"id": "jvasp-8367",
"created_at": "2022-09-04T14:37:04.804242Z",
"updated_at": "2022-09-04T14:37:04.804269Z",
"structure_string": "Ca3 Bi1 N1\n1.0\n4.884716 0.000000 -0.000000\n0.000000 4.884716 0.000000\n0.000000 0.000000 4.884716\nCa Bi N\n3 1 1\ndirect\n0.500000 0.000000 0.500000 Ca\n0.000000 0.500000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Bi",
"N"
],
"chemical_system": "Bi-Ca-N",
"density": 4.889957902371887,
"density_atomic": 0.04289948200844069,
"volume": 116.55152383929077,
"volume_molar": 14.037793647054093,
"formula_full": "Ca3 Bi1 N1",
"formula_reduced": "Ca3BiN",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.7722037619999998,
"spacegroup": 221
},
{
"id": "jvasp-8366",
"created_at": "2022-09-04T14:36:40.428805Z",
"updated_at": "2022-09-04T14:36:40.428835Z",
"structure_string": "Ca3 Sb1 N1\n1.0\n5.714047 -0.000000 -0.000000\n0.000000 5.714047 0.000000\n0.000000 -0.000000 5.714047\nCa Sb N\n3 1 1\ndirect\n0.500000 0.500000 0.000000 Ca\n0.500000 0.000000 0.500000 Ca\n0.000000 0.500000 0.500000 Ca\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.000000 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ca",
"Sb",
"N"
],
"chemical_system": "Ca-N-Sb",
"density": 2.278551376513474,
"density_atomic": 0.02680023359896641,
"volume": 186.56553800310277,
"volume_molar": 22.470478616396285,
"formula_full": "Ca3 Sb1 N1",
"formula_reduced": "Ca3SbN",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.2649081219999998,
"spacegroup": 221
},
{
"id": "jvasp-8365",
"created_at": "2022-09-04T14:37:03.993149Z",
"updated_at": "2022-09-04T14:37:03.993187Z",
"structure_string": "Ca2 Ni2 N2\n1.0\n3.563657 -0.000000 0.000000\n0.000000 3.563657 0.000000\n0.000000 0.000000 6.995437\nCa Ni N\n2 2 2\ndirect\n0.000000 0.000000 0.750000 Ca\n0.000000 0.000000 0.250000 Ca\n0.500000 0.500000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.500000 0.000000 0.500000 N\n0.000000 0.500000 0.000000 N\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Ni",
"N"
],
"chemical_system": "Ca-N-Ni",
"density": 4.215967200536091,
"density_atomic": 0.0675374419234198,
"volume": 88.83960998705511,
"volume_molar": 8.916743940092461,
"formula_full": "Ca2 Ni2 N2",
"formula_reduced": "CaNiN",
"formula_anonymous": "ABC",
"energy_above_hull": 1.4198186899999994,
"spacegroup": 131
},
{
"id": "jvasp-8364",
"created_at": "2022-09-04T14:36:39.424825Z",
"updated_at": "2022-09-04T14:36:39.424849Z",
"structure_string": "Y1 Fe1 F5\n1.0\n3.938913 -0.000000 1.448499\n1.646821 5.251949 1.601597\n0.128294 -0.007469 5.730932\nY Fe F\n1 1 5\ndirect\n0.499999 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Fe\n0.499999 0.816848 0.183153 F\n0.499999 0.183152 0.816848 F\n0.770377 0.229622 0.229623 F\n0.229621 0.770378 0.770378 F\n-0.000001 0.500000 0.500000 F\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Y",
"Fe",
"F"
],
"chemical_system": "F-Fe-Y",
"density": 3.384967348786879,
"density_atomic": 0.059519288864304284,
"volume": 117.6089320549348,
"volume_molar": 10.117964906687048,
"formula_full": "Y1 Fe1 F5",
"formula_reduced": "YFeF5",
"formula_anonymous": "ABC5",
"energy_above_hull": 0.4603474803571428,
"spacegroup": 71
},
{
"id": "jvasp-8363",
"created_at": "2022-09-04T14:36:38.134739Z",
"updated_at": "2022-09-04T14:36:38.134758Z",
"structure_string": "Bi2 O4\n1.0\n1.883250 -3.261885 0.000000\n1.883250 3.261885 0.000000\n0.000000 0.000000 7.671533\nBi O\n2 4\ndirect\n0.666667 0.333333 0.250000 Bi\n0.333333 0.666667 0.750000 Bi\n0.333333 0.666667 0.390140 O\n0.666667 0.333333 0.890140 O\n0.333333 0.666667 0.109860 O\n0.666667 0.333333 0.609860 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Bi",
"O"
],
"chemical_system": "Bi-O",
"density": 8.491215762252024,
"density_atomic": 0.06365939038906716,
"volume": 94.25160943781889,
"volume_molar": 9.459940981518164,
"formula_full": "Bi2 O4",
"formula_reduced": "BiO2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.4769037666666671,
"spacegroup": 194
},
{
"id": "jvasp-8362",
"created_at": "2022-09-04T14:37:04.745344Z",
"updated_at": "2022-09-04T14:37:04.745370Z",
"structure_string": "Y1 Cu1 O2\n1.0\n3.128782 -0.183701 5.213764\n1.304227 2.849916 5.213764\n-0.305433 -0.183701 6.072836\nY Cu O\n1 1 2\ndirect\n0.500000 0.500001 0.499999 Y\n0.000000 0.000000 0.000000 Cu\n0.893515 0.893517 0.893513 O\n0.106485 0.106485 0.106485 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Cu",
"O"
],
"chemical_system": "Cu-O-Y",
"density": 4.925547443238175,
"density_atomic": 0.06432580212320005,
"volume": 62.18344533565235,
"volume_molar": 9.361936518826598,
"formula_full": "Y1 Cu1 O2",
"formula_reduced": "YCuO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.172328225,
"spacegroup": 166
},
{
"id": "jvasp-8361",
"created_at": "2022-09-04T14:37:00.028099Z",
"updated_at": "2022-09-04T14:37:00.028127Z",
"structure_string": "W1 F5\n1.0\n3.441012 0.000000 1.265401\n1.016469 4.593442 2.547195\n0.035690 1.196514 5.214230\nW F\n1 5\ndirect\n0.000000 0.000000 0.000000 W\n0.500000 0.768900 0.231099 F\n0.500000 0.231099 0.768900 F\n0.792025 0.207975 0.207975 F\n0.207975 0.792024 0.792024 F\n0.000000 0.499999 0.500000 F\n",
"nsites": 6,
"nelements": 2,
"elements": [
"W",
"F"
],
"chemical_system": "F-W",
"density": 6.320045451004225,
"density_atomic": 0.08189921058856725,
"volume": 73.2607794004497,
"volume_molar": 7.353112095613609,
"formula_full": "W1 F5",
"formula_reduced": "WF5",
"formula_anonymous": "AB5",
"energy_above_hull": 0.9567102354166666,
"spacegroup": 71
},
{
"id": "jvasp-8360",
"created_at": "2022-09-04T14:37:03.159555Z",
"updated_at": "2022-09-04T14:37:03.159586Z",
"structure_string": "Mo1 F5\n1.0\n3.418835 0.000000 1.257244\n1.016306 4.581881 2.513406\n0.030458 1.167398 5.194225\nMo F\n1 5\ndirect\n0.000000 0.000000 0.000000 Mo\n0.500000 0.769262 0.230738 F\n0.500000 0.230738 0.769263 F\n0.792428 0.207571 0.207571 F\n0.207572 0.792429 0.792430 F\n0.000001 0.500000 0.500001 F\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mo",
"F"
],
"chemical_system": "F-Mo",
"density": 4.364028768688631,
"density_atomic": 0.08258686862075926,
"volume": 72.65077487744612,
"volume_molar": 7.291886543917539,
"formula_full": "Mo1 F5",
"formula_reduced": "MoF5",
"formula_anonymous": "AB5",
"energy_above_hull": 0.6085328854166664,
"spacegroup": 71
},
{
"id": "jvasp-8359",
"created_at": "2022-09-04T14:36:35.197496Z",
"updated_at": "2022-09-04T14:36:35.197521Z",
"structure_string": "Al1 Cr1 F5\n1.0\n3.410940 -0.000000 1.254342\n1.400723 4.807592 1.455874\n0.018422 0.019996 5.214768\nAl Cr F\n1 1 5\ndirect\n0.499999 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Cr\n0.499999 0.793529 0.206470 F\n0.499999 0.206471 0.793529 F\n0.740141 0.259858 0.259858 F\n0.259857 0.740142 0.740142 F\n-0.000001 0.500000 0.500000 F\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Al",
"Cr",
"F"
],
"chemical_system": "Al-Cr-F",
"density": 3.3851420915151724,
"density_atomic": 0.08202615309627134,
"volume": 85.33863573712075,
"volume_molar": 7.341732523932965,
"formula_full": "Al1 Cr1 F5",
"formula_reduced": "AlCrF5",
"formula_anonymous": "ABC5",
"energy_above_hull": 0.491948801785714,
"spacegroup": 71
},
{
"id": "jvasp-8358",
"created_at": "2022-09-04T14:37:07.725017Z",
"updated_at": "2022-09-04T14:37:07.725045Z",
"structure_string": "Al1 Co1 F5\n1.0\n3.340076 -0.000000 1.228282\n1.367218 4.771240 1.437601\n-0.004320 0.020919 5.167229\nAl Co F\n1 1 5\ndirect\n0.500001 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Co\n0.500001 0.797203 0.202796 F\n0.500001 0.202797 0.797203 F\n0.742061 0.257940 0.257939 F\n0.257941 0.742060 0.742060 F\n0.000000 0.500000 0.500000 F\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Al",
"Co",
"F"
],
"chemical_system": "Al-Co-F",
"density": 3.6498041190186052,
"density_atomic": 0.08504792632196774,
"volume": 82.30653353616114,
"volume_molar": 7.080879006034614,
"formula_full": "Al1 Co1 F5",
"formula_reduced": "AlCoF5",
"formula_anonymous": "ABC5",
"energy_above_hull": 0.2805435874999999,
"spacegroup": 71
}
]
}