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=-formula_reduced&page=4474",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_reduced&page=4472",
"results": [
{
"id": "jvasp-23190",
"created_at": "2022-09-04T14:37:54.596012Z",
"updated_at": "2022-09-04T14:37:54.596037Z",
"structure_string": "Ba2 Fe1 Mo1 O6\n1.0\n4.883199 -0.000000 -2.818552\n-1.626850 4.604237 -2.818552\n-0.000683 -0.000967 5.638214\nBa Fe Mo O\n2 1 1 6\ndirect\n0.750000 0.250000 0.500000 Ba\n0.250000 0.750000 0.500000 Ba\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.000001 Mo\n0.747315 0.747315 0.494629 O\n0.252686 0.252685 0.505372 O\n0.747314 0.747314 0.000001 O\n0.252687 0.747314 0.000001 O\n0.252687 0.252687 0.000000 O\n0.747314 0.252687 0.000000 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Fe",
"Mo",
"O"
],
"chemical_system": "Ba-Fe-Mo-O",
"density": 6.844933110349186,
"density_atomic": 0.07890190959026236,
"volume": 126.73964485688626,
"volume_molar": 7.632439812005791,
"formula_full": "Ba2 Fe1 Mo1 O6",
"formula_reduced": "Ba2FeMoO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.557117434,
"spacegroup": 225
},
{
"id": "jvasp-66236",
"created_at": "2022-09-04T14:36:20.555001Z",
"updated_at": "2022-09-04T14:36:20.555027Z",
"structure_string": "Ba2 Fe1 Ge1\n1.0\n0.000000 3.932116 3.932116\n3.932116 -0.000000 3.932116\n3.932116 3.932116 -0.000000\nBa Fe Ge\n2 1 1\ndirect\n0.750001 0.750001 0.750001 Ba\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Fe",
"Ge"
],
"chemical_system": "Ba-Fe-Ge",
"density": 5.505476992224836,
"density_atomic": 0.03289660133063481,
"volume": 121.59310804776109,
"volume_molar": 18.306270302737655,
"formula_full": "Ba2 Fe1 Ge1",
"formula_reduced": "Ba2FeGe",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.0386233475,
"spacegroup": 225
},
{
"id": "jvasp-120549",
"created_at": "2022-09-04T14:38:45.317183Z",
"updated_at": "2022-09-04T14:38:45.317213Z",
"structure_string": "Ba4 Fe2 Co2 Cl2 F14\n1.0\n5.785771 0.000000 0.000000\n-0.000000 7.279488 2.239135\n-0.000000 0.043330 8.863821\nBa Fe Co Cl F\n4 2 2 2 14\ndirect\n0.250000 0.676832 0.586723 Ba\n0.750000 0.323168 0.413277 Ba\n0.250000 0.705506 0.068243 Ba\n0.750000 0.294495 0.931758 Ba\n0.250000 0.176099 0.732113 Fe\n0.750000 0.823901 0.267888 Fe\n0.250000 0.177949 0.183769 Co\n0.750000 0.822051 0.816231 Co\n0.250000 0.119721 0.477265 Cl\n0.750000 0.880279 0.522736 Cl\n0.507412 0.640595 0.344010 F\n0.007412 0.359406 0.655990 F\n0.493411 0.374912 0.159725 F\n0.993411 0.625089 0.840275 F\n0.506589 0.625089 0.840275 F\n0.006589 0.374912 0.159725 F\n0.750000 0.756968 0.065251 F\n0.990496 -0.000100 0.177273 F\n0.509504 -0.000100 0.177273 F\n0.009504 0.000100 0.822727 F\n-0.007412 0.640595 0.344010 F\n0.250000 0.243033 0.934749 F\n0.490496 0.000100 0.822727 F\n0.492587 0.359406 0.655990 F\n",
"nsites": 24,
"nelements": 5,
"elements": [
"Ba",
"Fe",
"Co",
"Cl",
"F"
],
"chemical_system": "Ba-Cl-Co-F-Fe",
"density": 4.970335388573427,
"density_atomic": 0.06438455653677987,
"volume": 372.7601973353646,
"volume_molar": 9.353393241995594,
"formula_full": "Ba4 Fe2 Co2 Cl2 F14",
"formula_reduced": "Ba2FeCoClF7",
"formula_anonymous": "ABCD2E7",
"energy_above_hull": 0.3060303654166665,
"spacegroup": 11
},
{
"id": "jvasp-107366",
"created_at": "2022-09-04T14:37:01.259066Z",
"updated_at": "2022-09-04T14:37:01.259086Z",
"structure_string": "Ba2 Fe4 As1 P3\n1.0\n6.781036 0.014114 0.000000\n-4.596183 4.985754 0.000000\n0.000000 -0.000000 5.457332\nBa Fe As P\n2 4 1 3\ndirect\n0.495619 0.504380 0.500000 Ba\n0.996902 0.003098 -0.000000 Ba\n0.505211 0.002267 0.246009 Fe\n0.997733 0.494787 0.753991 Fe\n0.997733 0.494787 0.246009 Fe\n0.505211 0.002267 0.753991 Fe\n0.151007 0.848992 0.500000 As\n0.661100 0.338899 -0.000000 P\n0.338144 0.661855 -0.000000 P\n0.837241 0.162758 0.500000 P\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Fe",
"As",
"P"
],
"chemical_system": "As-Ba-Fe-P",
"density": 5.981405663799342,
"density_atomic": 0.05409538552823249,
"volume": 184.8586511095476,
"volume_molar": 11.132448176854256,
"formula_full": "Ba2 Fe4 As1 P3",
"formula_reduced": "Ba2Fe4AsP3",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 2.851875219,
"spacegroup": 38
},
{
"id": "jvasp-26526",
"created_at": "2022-09-04T14:37:05.149884Z",
"updated_at": "2022-09-04T14:37:05.149901Z",
"structure_string": "Ba2 Fe2 S2 O1 F2\n1.0\n4.019145 0.002279 -0.830363\n-0.173833 4.015262 -0.830722\n-0.011514 -0.011502 10.086259\nBa Fe S O F\n2 2 2 1 2\ndirect\n0.335103 0.335108 0.670208 Ba\n0.664887 0.664888 0.329795 Ba\n0.500040 0.999999 0.999998 Fe\n0.999997 0.500017 0.000002 Fe\n0.914558 0.914564 0.829094 S\n0.085430 0.085432 0.170907 S\n0.499994 0.499998 -0.000002 O\n0.750001 0.250001 0.500005 F\n0.249990 0.749995 0.499997 F\n",
"nsites": 9,
"nelements": 5,
"elements": [
"Ba",
"Fe",
"S",
"O",
"F"
],
"chemical_system": "Ba-F-Fe-O-S",
"density": 5.148794833318944,
"density_atomic": 0.05531761868819541,
"volume": 162.69680823987764,
"volume_molar": 10.886478671369678,
"formula_full": "Ba2 Fe2 S2 O1 F2",
"formula_reduced": "Ba2Fe2S2OF2",
"formula_anonymous": "AB2C2D2E2",
"energy_above_hull": 1.3744507783333333,
"spacegroup": 139
},
{
"id": "jvasp-97357",
"created_at": "2022-09-04T14:36:18.816310Z",
"updated_at": "2022-09-04T14:36:18.816333Z",
"structure_string": "Ba2 Eu1 Nb1 O6\n1.0\n5.272930 0.000000 3.044328\n1.757643 4.971367 3.044328\n-0.000000 -0.000000 6.088656\nBa Eu Nb O\n2 1 1 6\ndirect\n0.749999 0.750001 0.750001 Ba\n0.250000 0.250000 0.250000 Ba\n0.500000 0.500000 0.500001 Eu\n0.000000 0.000000 0.000000 Nb\n0.234503 0.765497 0.765497 O\n0.234503 0.765497 0.234504 O\n0.765496 0.234504 0.765497 O\n0.234503 0.234504 0.765497 O\n0.765496 0.234504 0.234504 O\n0.765496 0.765497 0.234504 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Eu",
"Nb",
"O"
],
"chemical_system": "Ba-Eu-Nb-O",
"density": 6.403870602537594,
"density_atomic": 0.06265427820427875,
"volume": 159.6060203166954,
"volume_molar": 9.611699204905596,
"formula_full": "Ba2 Eu1 Nb1 O6",
"formula_reduced": "Ba2EuNbO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.161313234,
"spacegroup": 225
},
{
"id": "jvasp-122140",
"created_at": "2022-09-04T14:38:55.255851Z",
"updated_at": "2022-09-04T14:38:55.255886Z",
"structure_string": "Ba2 Er1 Zn2 Cu1 O7\n1.0\n3.878631 0.000000 0.000000\n0.000000 3.983778 0.000000\n-0.000000 -0.000000 11.533928\nBa Er Zn Cu O\n2 1 2 1 7\ndirect\n0.500000 0.500000 0.180485 Ba\n0.500000 0.500000 0.819515 Ba\n0.500000 0.500000 0.500000 Er\n0.000000 0.000000 0.343687 Zn\n0.000000 0.000000 0.656313 Zn\n0.000000 0.000000 0.000000 Cu\n0.500000 0.000000 0.380438 O\n0.500000 0.000000 0.619562 O\n-0.000000 0.500000 0.379187 O\n-0.000000 0.500000 0.620813 O\n0.000000 0.000000 0.163055 O\n0.000000 0.000000 0.836946 O\n-0.000000 0.500000 -0.000000 O\n",
"nsites": 13,
"nelements": 5,
"elements": [
"Ba",
"Er",
"Zn",
"Cu",
"O"
],
"chemical_system": "Ba-Cu-Er-O-Zn",
"density": 6.972013622722366,
"density_atomic": 0.07294449519017075,
"volume": 178.21769780033716,
"volume_molar": 8.255785092898254,
"formula_full": "Ba2 Er1 Zn2 Cu1 O7",
"formula_reduced": "Ba2ErZn2CuO7",
"formula_anonymous": "ABC2D2E7",
"energy_above_hull": null,
"spacegroup": 47
},
{
"id": "jvasp-103351",
"created_at": "2022-09-04T14:36:43.618708Z",
"updated_at": "2022-09-04T14:36:43.618725Z",
"structure_string": "Ba2 Er1 U1 O6\n1.0\n5.353060 -0.000000 3.090590\n1.784354 5.046913 3.090590\n0.000000 0.000000 6.181181\nBa Er U O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Er\n0.000000 0.000000 0.000000 U\n0.753803 0.246197 0.246197 O\n0.246196 0.753803 0.753803 O\n0.246196 0.753803 0.246197 O\n0.753803 0.246197 0.753803 O\n0.246197 0.246197 0.753803 O\n0.753803 0.753803 0.246197 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Er",
"U",
"O"
],
"chemical_system": "Ba-Er-O-U",
"density": 7.715727863994999,
"density_atomic": 0.059882594634216996,
"volume": 166.99343208295096,
"volume_molar": 10.05657953999031,
"formula_full": "Ba2 Er1 U1 O6",
"formula_reduced": "Ba2ErUO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.1996828939999995,
"spacegroup": 225
},
{
"id": "jvasp-9774",
"created_at": "2022-09-04T14:36:51.175871Z",
"updated_at": "2022-09-04T14:36:51.175890Z",
"structure_string": "Ba2 Er1 Sb1 O6\n1.0\n5.178164 -0.000000 2.989615\n1.726055 4.882021 2.989615\n-0.000000 -0.000000 5.979229\nBa Er Sb O\n2 1 1 6\ndirect\n0.749999 0.750000 0.750002 Ba\n0.250000 0.250000 0.250001 Ba\n0.000000 0.000000 0.000000 Er\n0.499999 0.500000 0.500001 Sb\n0.261613 0.738386 0.738388 O\n0.261613 0.738386 0.261615 O\n0.738386 0.261613 0.738388 O\n0.261613 0.261613 0.738387 O\n0.738386 0.261613 0.261615 O\n0.738385 0.738386 0.261615 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Er",
"Sb",
"O"
],
"chemical_system": "Ba-Er-O-Sb",
"density": 7.246942330222543,
"density_atomic": 0.06615754316826632,
"volume": 151.15434342181987,
"volume_molar": 9.102727325715794,
"formula_full": "Ba2 Er1 Sb1 O6",
"formula_reduced": "Ba2ErSbO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.7374369039999995,
"spacegroup": 225
},
{
"id": "jvasp-9988",
"created_at": "2022-09-04T14:37:15.334494Z",
"updated_at": "2022-09-04T14:37:15.334521Z",
"structure_string": "Ba2 Er1 Ru1 O6\n1.0\n5.121217 0.000000 2.956736\n1.707072 4.828330 2.956736\n0.000000 0.000000 5.913472\nBa Er Ru O\n2 1 1 6\ndirect\n0.750000 0.750000 0.750001 Ba\n0.250000 0.250000 0.250000 Ba\n0.500000 0.500000 0.500000 Er\n0.000000 0.000000 0.000000 Ru\n0.235920 0.764080 0.764080 O\n0.235920 0.764080 0.235921 O\n0.764080 0.235920 0.764080 O\n0.235920 0.235920 0.764080 O\n0.764080 0.235920 0.235921 O\n0.764080 0.764080 0.235921 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Er",
"Ru",
"O"
],
"chemical_system": "Ba-Er-O-Ru",
"density": 7.256434615993336,
"density_atomic": 0.06838916980476985,
"volume": 146.22198264062774,
"volume_molar": 8.805693616681367,
"formula_full": "Ba2 Er1 Ru1 O6",
"formula_reduced": "Ba2ErRuO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.104080344,
"spacegroup": 225
},
{
"id": "jvasp-106292",
"created_at": "2022-09-04T14:37:47.949657Z",
"updated_at": "2022-09-04T14:37:47.949675Z",
"structure_string": "Ba2 Er1 Re1 O6\n1.0\n5.146683 -0.000000 2.971438\n1.715561 4.852339 2.971439\n0.000000 -0.000000 5.942878\nBa Er Re O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.749999 0.750000 0.750001 Ba\n0.500000 0.500000 0.500001 Er\n0.000000 0.000000 0.000000 Re\n0.763393 0.236607 0.236607 O\n0.236606 0.763394 0.763394 O\n0.236606 0.763394 0.236607 O\n0.763393 0.236607 0.763394 O\n0.236606 0.236607 0.763394 O\n0.763393 0.763394 0.236607 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Er",
"Re",
"O"
],
"chemical_system": "Ba-Er-O-Re",
"density": 8.101811085231606,
"density_atomic": 0.06737901086490232,
"volume": 148.41417040167613,
"volume_molar": 8.937710249375193,
"formula_full": "Ba2 Er1 Re1 O6",
"formula_reduced": "Ba2ErReO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.378405094,
"spacegroup": 225
},
{
"id": "jvasp-9994",
"created_at": "2022-09-04T14:37:09.212271Z",
"updated_at": "2022-09-04T14:37:09.212299Z",
"structure_string": "Ba2 Er1 Nb1 O6\n1.0\n5.201102 -0.000000 3.002858\n1.733701 4.903645 3.002858\n-0.000000 -0.000000 6.005714\nBa Er Nb O\n2 1 1 6\ndirect\n0.749999 0.750001 0.750000 Ba\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Er\n0.500000 0.500000 0.500000 Nb\n0.261467 0.738533 0.738532 O\n0.261467 0.738533 0.261467 O\n0.738532 0.261468 0.738533 O\n0.261467 0.261468 0.738532 O\n0.738532 0.261468 0.261468 O\n0.738532 0.738533 0.261468 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Er",
"Nb",
"O"
],
"chemical_system": "Ba-Er-Nb-O",
"density": 6.838685107966604,
"density_atomic": 0.06528613527664578,
"volume": 153.17187880130513,
"volume_molar": 9.224226146151196,
"formula_full": "Ba2 Er1 Nb1 O6",
"formula_reduced": "Ba2ErNbO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.162089234,
"spacegroup": 225
}
]
}