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_full&page=249",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_full&page=247",
"results": [
{
"id": "jvasp-26861",
"created_at": "2022-09-04T14:38:33.852634Z",
"updated_at": "2022-09-04T14:38:33.852663Z",
"structure_string": "Ba1 Nb4 O6\n1.0\n4.239722 0.000000 0.000000\n0.000000 4.239722 -0.000000\n0.000000 0.000000 8.296065\nBa Nb O\n1 4 6\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.000000 0.500000 Nb\n0.000000 0.500000 0.500000 Nb\n0.500000 0.500000 0.253225 Nb\n0.500000 0.500000 0.746774 Nb\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.242413 O\n0.000000 0.500000 0.242413 O\n0.500000 0.000000 0.757587 O\n0.000000 0.500000 0.757587 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Ba",
"Nb",
"O"
],
"chemical_system": "Ba-Nb-O",
"density": 6.73629186528865,
"density_atomic": 0.07376422394464857,
"volume": 149.12378130967954,
"volume_molar": 8.164040015548611,
"formula_full": "Ba1 Nb4 O6",
"formula_reduced": "BaNb4O6",
"formula_anonymous": "AB4C6",
"energy_above_hull": 3.747958597272727,
"spacegroup": 123
},
{
"id": "jvasp-37938",
"created_at": "2022-09-04T14:38:07.772789Z",
"updated_at": "2022-09-04T14:38:07.772815Z",
"structure_string": "Ba1 Nd1\n1.0\n1.955365 -3.386792 0.000000\n1.955365 3.386792 0.000000\n-0.000000 -0.000000 6.490793\nBa Nd\n1 1\ndirect\n0.333334 0.666668 0.500000 Ba\n0.666668 0.333334 0.000000 Nd\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ba",
"Nd"
],
"chemical_system": "Ba-Nd",
"density": 5.438633814688515,
"density_atomic": 0.02326407977118821,
"volume": 85.96944386671737,
"volume_molar": 25.886004601214538,
"formula_full": "Ba1 Nd1",
"formula_reduced": "BaNd",
"formula_anonymous": "AB",
"energy_above_hull": 0.5715387350000001,
"spacegroup": 187
},
{
"id": "jvasp-90350",
"created_at": "2022-09-04T14:36:21.451575Z",
"updated_at": "2022-09-04T14:36:21.451603Z",
"structure_string": "Ba1 Nd1 Co2 O5\n1.0\n-0.000000 -3.915068 0.000000\n-3.914994 -0.000000 0.000000\n0.000000 0.000000 -7.515269\nBa Nd Co O\n1 1 2 5\ndirect\n0.500000 0.499999 0.500000 Ba\n0.500000 0.499999 0.000000 Nd\n0.000000 0.000000 0.759138 Co\n0.000000 0.000000 0.240862 Co\n0.500000 0.000000 0.797721 O\n0.500000 0.000000 0.202279 O\n0.000000 0.499999 0.797724 O\n0.000000 0.499999 0.202277 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Ba",
"Nd",
"Co",
"O"
],
"chemical_system": "Ba-Co-Nd-O",
"density": 6.911328376344875,
"density_atomic": 0.07813175305444628,
"volume": 115.19004307670315,
"volume_molar": 7.707673928426332,
"formula_full": "Ba1 Nd1 Co2 O5",
"formula_reduced": "BaNdCo2O5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 2.387612974444444,
"spacegroup": 123
},
{
"id": "jvasp-90337",
"created_at": "2022-09-04T14:35:50.951040Z",
"updated_at": "2022-09-04T14:35:50.951073Z",
"structure_string": "Ba1 Nd1 Co2 O5\n1.0\n-0.000000 -3.915127 0.000000\n-3.914882 0.000000 0.000000\n0.000000 0.000000 -7.515348\nBa Nd Co O\n1 1 2 5\ndirect\n0.500000 0.500000 0.500000 Ba\n0.500000 0.500000 0.000000 Nd\n0.000000 0.000000 0.759118 Co\n0.000000 0.000000 0.240882 Co\n0.500000 0.000000 0.797726 O\n0.500000 0.000000 0.202274 O\n0.000000 0.500000 0.797716 O\n0.000000 0.500000 0.202284 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Ba",
"Nd",
"Co",
"O"
],
"chemical_system": "Ba-Co-Nd-O",
"density": 6.911349294388069,
"density_atomic": 0.07813198953046017,
"volume": 115.18969443996178,
"volume_molar": 7.707650600209326,
"formula_full": "Ba1 Nd1 Co2 O5",
"formula_reduced": "BaNdCo2O5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 2.387610752222222,
"spacegroup": 123
},
{
"id": "jvasp-8612",
"created_at": "2022-09-04T14:37:09.824606Z",
"updated_at": "2022-09-04T14:37:09.824626Z",
"structure_string": "Ba1 Nd1 Co2 O5\n1.0\n3.914817 -0.000000 0.000000\n0.000000 3.915295 0.000000\n0.000000 0.000000 7.515134\nBa Nd Co O\n1 1 2 5\ndirect\n0.500000 0.499999 0.500000 Ba\n0.500000 0.499999 0.000000 Nd\n0.000000 0.000000 0.759115 Co\n0.000000 0.000000 0.240885 Co\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.797728 O\n0.500000 0.000000 0.202271 O\n0.000000 0.499999 0.797697 O\n0.000000 0.499999 0.202302 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Ba",
"Nd",
"Co",
"O"
],
"chemical_system": "Ba-Co-Nd-O",
"density": 6.911364287543966,
"density_atomic": 0.07813215902632122,
"volume": 115.18944455340181,
"volume_molar": 7.707633879631123,
"formula_full": "Ba1 Nd1 Co2 O5",
"formula_reduced": "BaNdCo2O5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 2.387609641111111,
"spacegroup": 123
},
{
"id": "jvasp-111140",
"created_at": "2022-09-04T14:38:37.742370Z",
"updated_at": "2022-09-04T14:38:37.742400Z",
"structure_string": "Ba1 Nd1 Co2 O6\n1.0\n3.880007 0.000000 0.000000\n0.000000 3.880007 0.000000\n0.000000 0.000000 7.649267\nBa Nd Co O\n1 1 2 6\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.750482 Co\n0.500000 0.500000 0.249518 Co\n0.500000 0.500000 -0.000000 O\n0.500000 0.500000 0.500000 O\n-0.000000 0.500000 0.774260 O\n0.500000 0.000000 0.774260 O\n-0.000000 0.500000 0.225740 O\n0.500000 0.000000 0.225740 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Nd",
"Co",
"O"
],
"chemical_system": "Ba-Co-Nd-O",
"density": 7.144109936923453,
"density_atomic": 0.08683906953152022,
"volume": 115.15554063335826,
"volume_molar": 6.93482874987983,
"formula_full": "Ba1 Nd1 Co2 O6",
"formula_reduced": "BaNd(CoO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.469656027,
"spacegroup": 123
},
{
"id": "jvasp-109785",
"created_at": "2022-09-04T14:38:19.969854Z",
"updated_at": "2022-09-04T14:38:19.969874Z",
"structure_string": "Ba1 Nd1 Fe1 Co1 O6\n1.0\n3.882192 -0.000000 0.000000\n0.000000 3.882192 0.000000\n-0.000000 -0.000000 7.702214\nBa Nd Fe Co O\n1 1 1 1 6\ndirect\n0.000000 0.000000 0.997026 Ba\n0.000000 0.000000 0.504789 Nd\n0.500000 0.500000 0.253584 Fe\n0.500000 0.500000 0.749422 Co\n0.500000 0.500000 0.006264 O\n-0.000000 0.500000 0.724625 O\n0.500000 0.000000 0.724625 O\n-0.000000 0.500000 0.270974 O\n0.500000 0.000000 0.270974 O\n0.500000 0.500000 0.497713 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Ba",
"Nd",
"Fe",
"Co",
"O"
],
"chemical_system": "Ba-Co-Fe-Nd-O",
"density": 7.042839451340577,
"density_atomic": 0.08614506408011897,
"volume": 116.08326149365364,
"volume_molar": 6.9906974059467,
"formula_full": "Ba1 Nd1 Fe1 Co1 O6",
"formula_reduced": "BaNdFeCoO6",
"formula_anonymous": "ABCDE6",
"energy_above_hull": 2.473999487,
"spacegroup": 99
},
{
"id": "jvasp-104760",
"created_at": "2022-09-04T14:36:57.911785Z",
"updated_at": "2022-09-04T14:36:57.911821Z",
"structure_string": "Ba1 Nd1 Fe2 O6\n1.0\n4.754215 -0.000000 2.744847\n1.584738 4.482316 2.744847\n-0.000000 -0.000000 5.489694\nBa Nd Fe O\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Nd\n0.749999 0.750001 0.750000 Fe\n0.250000 0.250000 0.250000 Fe\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.000001 O\n0.500000 0.500000 0.000001 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Nd",
"Fe",
"O"
],
"chemical_system": "Ba-Fe-Nd-O",
"density": 6.94472893842625,
"density_atomic": 0.08548119289373422,
"volume": 116.98479702349826,
"volume_molar": 7.044989144555355,
"formula_full": "Ba1 Nd1 Fe2 O6",
"formula_reduced": "BaNd(FeO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.486093947,
"spacegroup": 225
},
{
"id": "jvasp-109786",
"created_at": "2022-09-04T14:38:18.253345Z",
"updated_at": "2022-09-04T14:38:18.253359Z",
"structure_string": "Ba1 Nd1 Mn1 Co1 O5\n1.0\n3.900436 -0.000000 0.000000\n0.000000 3.900436 0.000000\n-0.000000 -0.000000 7.712247\nBa Nd Mn Co O\n1 1 1 1 5\ndirect\n0.000000 0.000000 0.986652 Ba\n0.000000 0.000000 0.505047 Nd\n0.500001 0.500001 0.263879 Mn\n0.500001 0.500001 0.706767 Co\n0.500001 0.000000 0.702807 O\n-0.000000 0.500001 0.702807 O\n0.500001 0.000000 0.303432 O\n-0.000000 0.500001 0.303432 O\n0.500001 0.500001 0.025178 O\n",
"nsites": 9,
"nelements": 5,
"elements": [
"Ba",
"Nd",
"Mn",
"Co",
"O"
],
"chemical_system": "Ba-Co-Mn-Nd-O",
"density": 6.728760195720384,
"density_atomic": 0.07670704749090546,
"volume": 117.3295061456649,
"volume_molar": 7.850831125671991,
"formula_full": "Ba1 Nd1 Mn1 Co1 O5",
"formula_reduced": "BaNdMnCoO5",
"formula_anonymous": "ABCDE5",
"energy_above_hull": 2.487811456819923,
"spacegroup": 99
},
{
"id": "jvasp-57204",
"created_at": "2022-09-04T14:38:27.557508Z",
"updated_at": "2022-09-04T14:38:27.557532Z",
"structure_string": "Ba1 Nd1 Mn2 O5\n1.0\n3.970078 0.000000 -0.000000\n0.000000 3.970078 0.000000\n0.000000 0.000000 7.672671\nBa Nd Mn O\n1 1 2 5\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.764301 Mn\n0.500000 0.500000 0.235699 Mn\n0.000000 0.500000 0.199373 O\n0.500000 0.000000 0.800627 O\n0.500000 0.000000 0.199373 O\n0.000000 0.500000 0.800627 O\n0.500000 0.500000 0.500000 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Ba",
"Nd",
"Mn",
"O"
],
"chemical_system": "Ba-Mn-Nd-O",
"density": 6.4734052507994875,
"density_atomic": 0.07442140320411064,
"volume": 120.93295224918425,
"volume_molar": 8.09194734407718,
"formula_full": "Ba1 Nd1 Mn2 O5",
"formula_reduced": "BaNdMn2O5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 2.59593771697318,
"spacegroup": 123
},
{
"id": "jvasp-100459",
"created_at": "2022-09-04T14:37:09.276553Z",
"updated_at": "2022-09-04T14:37:09.276858Z",
"structure_string": "Ba1 Nd1 Mn2 O6\n1.0\n3.905367 0.000000 -0.000000\n0.000000 3.905367 -0.000000\n0.000000 -0.000000 7.802637\nBa Nd Mn O\n1 1 2 6\ndirect\n0.000000 0.000000 0.499999 Ba\n0.000000 0.000000 0.000000 Nd\n0.500001 0.500001 0.753789 Mn\n0.500001 0.500001 0.246211 Mn\n0.500001 0.500001 0.000000 O\n0.000000 0.500001 0.773372 O\n0.500001 0.000000 0.773372 O\n0.000000 0.500001 0.226628 O\n0.500001 0.500001 0.499999 O\n0.500001 0.000000 0.226628 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Nd",
"Mn",
"O"
],
"chemical_system": "Ba-Mn-Nd-O",
"density": 6.801527884950886,
"density_atomic": 0.084030102403458,
"volume": 119.00497219420836,
"volume_molar": 7.166646936934089,
"formula_full": "Ba1 Nd1 Mn2 O6",
"formula_reduced": "BaNdMn2O6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.650383295275862,
"spacegroup": 123
},
{
"id": "jvasp-12644",
"created_at": "2022-09-04T14:37:19.374648Z",
"updated_at": "2022-09-04T14:37:19.374679Z",
"structure_string": "Ba1 Nd1 Mn2 O6\n1.0\n3.905296 0.000000 -0.000000\n0.000000 3.905296 0.000000\n0.000000 0.000000 7.802721\nBa Nd Mn O\n1 1 2 6\ndirect\n0.000000 0.000000 0.500000 Ba\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.753786 Mn\n0.500000 0.500000 0.246214 Mn\n0.500000 0.500000 0.000000 O\n0.000000 0.500000 0.773369 O\n0.500000 0.000000 0.773369 O\n0.000000 0.500000 0.226631 O\n0.500000 0.500000 0.500000 O\n0.500000 0.000000 0.226631 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Nd",
"Mn",
"O"
],
"chemical_system": "Ba-Mn-Nd-O",
"density": 6.80170197239688,
"density_atomic": 0.08403225318283603,
"volume": 119.00192629896715,
"volume_molar": 7.16646350883526,
"formula_full": "Ba1 Nd1 Mn2 O6",
"formula_reduced": "BaNdMn2O6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.650387295275862,
"spacegroup": 123
}
]
}