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=411",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_reduced&page=409",
"results": [
{
"id": "jvasp-11736",
"created_at": "2022-09-04T14:37:37.268844Z",
"updated_at": "2022-09-04T14:37:37.268872Z",
"structure_string": "Ba1 Ni4 O8\n1.0\n5.230541 -0.007301 4.797216\n2.105027 4.788264 4.797216\n-0.011202 -0.007301 7.097303\nBa Ni O\n1 4 8\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Ni\n0.500000 0.000000 0.500000 Ni\n0.500000 0.500000 0.000001 Ni\n0.000001 0.500000 0.500000 Ni\n0.779798 0.284924 0.779798 O\n0.220202 0.220202 0.715076 O\n0.220202 0.715076 0.220202 O\n0.715076 0.220202 0.220202 O\n0.281430 0.281429 0.281430 O\n0.718571 0.718570 0.718571 O\n0.779799 0.779798 0.284925 O\n0.284925 0.779798 0.779798 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ba",
"Ni",
"O"
],
"chemical_system": "Ba-Ni-O",
"density": 4.659316543861073,
"density_atomic": 0.07293958099006655,
"volume": 178.22970496321383,
"volume_molar": 8.256341314628802,
"formula_full": "Ba1 Ni4 O8",
"formula_reduced": "Ba(NiO2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 2.0944510438461537,
"spacegroup": 166
},
{
"id": "jvasp-100698",
"created_at": "2022-09-04T14:36:39.340287Z",
"updated_at": "2022-09-04T14:36:39.340311Z",
"structure_string": "Ba1 Ni1 O3\n1.0\n3.952924 -0.000000 0.000000\n0.000000 3.952924 0.000000\n-0.000000 -0.000000 3.952924\nBa Ni O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Ba\n0.499999 0.499999 0.499999 Ni\n-0.000000 0.499999 0.499999 O\n0.499999 0.000000 0.499999 O\n0.499999 0.499999 -0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Ni",
"O"
],
"chemical_system": "Ba-Ni-O",
"density": 6.560193279024319,
"density_atomic": 0.08094958202518779,
"volume": 61.76684146984514,
"volume_molar": 7.439372272640256,
"formula_full": "Ba1 Ni1 O3",
"formula_reduced": "BaNiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.3786677740000002,
"spacegroup": 221
},
{
"id": "jvasp-11789",
"created_at": "2022-09-04T14:36:37.311535Z",
"updated_at": "2022-09-04T14:36:37.311554Z",
"structure_string": "Ba2 Ni2 O6\n1.0\n2.841941 -4.922386 -0.000000\n2.841941 4.922386 0.000000\n0.000000 0.000000 4.834059\nBa Ni O\n2 2 6\ndirect\n0.666667 0.333333 0.250000 Ba\n0.333333 0.666667 0.750000 Ba\n0.000000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.851792 0.703584 0.750000 O\n0.148207 0.851792 0.250000 O\n0.703584 0.851792 0.250000 O\n0.296416 0.148208 0.750000 O\n0.148208 0.296416 0.250000 O\n0.851792 0.148207 0.750000 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ba",
"Ni",
"O"
],
"chemical_system": "Ba-Ni-O",
"density": 5.991966235767287,
"density_atomic": 0.07393793775029438,
"volume": 135.24856527338275,
"volume_molar": 8.144858976643588,
"formula_full": "Ba2 Ni2 O6",
"formula_reduced": "BaNiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.330609774,
"spacegroup": 194
},
{
"id": "jvasp-11820",
"created_at": "2022-09-04T14:37:27.035298Z",
"updated_at": "2022-09-04T14:37:27.035323Z",
"structure_string": "Ba2 Ni2 O6\n1.0\n2.841944 -4.922392 0.000000\n2.841944 4.922392 0.000000\n0.000000 0.000000 4.834076\nBa Ni O\n2 2 6\ndirect\n0.666666 0.333332 0.259351 Ba\n0.333332 0.666666 0.759352 Ba\n0.000000 0.000000 0.509533 Ni\n0.000000 0.000000 0.009533 Ni\n0.851787 0.703575 0.759539 O\n0.703575 0.851787 0.259539 O\n0.148211 0.851787 0.259539 O\n0.851787 0.148211 0.759539 O\n0.148211 0.296423 0.259539 O\n0.296423 0.148211 0.759539 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ba",
"Ni",
"O"
],
"chemical_system": "Ba-Ni-O",
"density": 5.991931534932028,
"density_atomic": 0.07393750955893008,
"volume": 135.24934853303037,
"volume_molar": 8.144906145642084,
"formula_full": "Ba2 Ni2 O6",
"formula_reduced": "BaNiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.330601774,
"spacegroup": 194
},
{
"id": "jvasp-16157",
"created_at": "2022-09-04T14:36:32.093348Z",
"updated_at": "2022-09-04T14:36:32.093373Z",
"structure_string": "Ba1 Ni2 P2\n1.0\n3.770542 0.000000 -1.194257\n-0.378260 3.751521 -1.194257\n0.012282 0.013582 6.588140\nBa Ni P\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.250000 0.749999 0.499999 Ni\n0.749999 0.250000 0.499999 Ni\n0.657905 0.657905 0.315811 P\n0.342094 0.342094 0.684187 P\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Ni",
"P"
],
"chemical_system": "Ba-Ni-P",
"density": 5.635084823715819,
"density_atomic": 0.05358291563052354,
"volume": 93.3133246140818,
"volume_molar": 11.238919512191465,
"formula_full": "Ba1 Ni2 P2",
"formula_reduced": "Ba(NiP)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.4930343540000004,
"spacegroup": 139
},
{
"id": "jvasp-65379",
"created_at": "2022-09-04T14:35:53.807173Z",
"updated_at": "2022-09-04T14:35:53.807193Z",
"structure_string": "Ba1 Ni1 P2\n1.0\n3.414415 0.000000 -0.000000\n0.000000 3.414415 0.000000\n-0.000000 0.000000 6.673350\nBa Ni P\n1 1 2\ndirect\n0.500001 0.500001 0.000000 Ba\n0.500001 0.500001 0.500000 Ni\n0.000000 0.000000 0.659489 P\n0.000000 0.000000 0.340511 P\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ni",
"P"
],
"chemical_system": "Ba-Ni-P",
"density": 5.50602642992153,
"density_atomic": 0.0514142466808803,
"volume": 77.79944778394471,
"volume_molar": 11.712980640129627,
"formula_full": "Ba1 Ni1 P2",
"formula_reduced": "BaNiP2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.6274773425000002,
"spacegroup": 123
},
{
"id": "jvasp-54969",
"created_at": "2022-09-04T14:38:26.753097Z",
"updated_at": "2022-09-04T14:38:26.753129Z",
"structure_string": "Ba1 Ni2 P4\n1.0\n5.242290 0.019156 -1.650244\n-2.953891 4.398903 -1.459258\n-0.016805 -0.019156 5.495873\nBa Ni P\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Ba\n0.265165 0.765164 0.499999 Ni\n0.734835 0.234835 0.500000 Ni\n0.251240 0.499999 0.751239 P\n0.748761 0.500000 0.248761 P\n0.500000 0.739409 0.239409 P\n0.500000 0.260590 0.760590 P\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ba",
"Ni",
"P"
],
"chemical_system": "Ba-Ni-P",
"density": 4.9626161525777075,
"density_atomic": 0.05525465456977457,
"volume": 126.68615982678034,
"volume_molar": 10.898884097438978,
"formula_full": "Ba1 Ni2 P4",
"formula_reduced": "Ba(NiP2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.140743252857143,
"spacegroup": 71
},
{
"id": "jvasp-18507",
"created_at": "2022-09-04T14:36:48.852350Z",
"updated_at": "2022-09-04T14:36:48.852367Z",
"structure_string": "Ba1 Ni2 P4\n1.0\n5.276141 0.012896 -1.541728\n-2.961762 4.366439 -1.541728\n-0.006815 -0.012896 5.496776\nBa Ni P\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Ba\n0.250000 0.750000 0.500000 Ni\n0.750000 0.250000 0.500000 Ni\n0.500000 0.743172 0.243172 P\n0.743172 0.500001 0.243172 P\n0.256827 0.500000 0.756828 P\n0.499999 0.256828 0.756828 P\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ba",
"Ni",
"P"
],
"chemical_system": "Ba-Ni-P",
"density": 4.964626576897665,
"density_atomic": 0.05527703899321627,
"volume": 126.63485829729514,
"volume_molar": 10.894470596985219,
"formula_full": "Ba1 Ni2 P4",
"formula_reduced": "Ba(NiP2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.140943252857143,
"spacegroup": 139
},
{
"id": "jvasp-69245",
"created_at": "2022-09-04T14:35:48.153708Z",
"updated_at": "2022-09-04T14:35:48.153739Z",
"structure_string": "Ba1 Ni1 Pd2\n1.0\n4.304057 0.000000 0.000000\n0.000000 4.304057 -0.000000\n0.000000 -0.000000 4.309579\nBa Ni Pd\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.500000 Ni\n0.500000 0.000000 0.000000 Pd\n0.000000 0.500000 0.000000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ni",
"Pd"
],
"chemical_system": "Ba-Ni-Pd",
"density": 8.504196214646226,
"density_atomic": 0.05010362135629376,
"volume": 79.83454871565966,
"volume_molar": 12.019372246919492,
"formula_full": "Ba1 Ni1 Pd2",
"formula_reduced": "BaNiPd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.0377099425,
"spacegroup": 123
},
{
"id": "jvasp-65510",
"created_at": "2022-09-04T14:36:01.897831Z",
"updated_at": "2022-09-04T14:36:01.897856Z",
"structure_string": "Ba1 Ni1 Pd2\n1.0\n3.324921 -0.000000 0.000000\n-0.000000 3.324921 0.000000\n-0.000000 -0.000000 7.187601\nBa Ni Pd\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Ba\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.681766 Pd\n0.000000 0.000000 0.318234 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ni",
"Pd"
],
"chemical_system": "Ba-Ni-Pd",
"density": 8.544320378525663,
"density_atomic": 0.05034001829064376,
"volume": 79.45964534429746,
"volume_molar": 11.96292922507595,
"formula_full": "Ba1 Ni1 Pd2",
"formula_reduced": "BaNiPd2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.0325099425,
"spacegroup": 123
},
{
"id": "jvasp-65662",
"created_at": "2022-09-04T14:36:12.654205Z",
"updated_at": "2022-09-04T14:36:12.654221Z",
"structure_string": "Ba1 Ni1 Pt2\n1.0\n4.176418 0.000000 0.000000\n0.000000 4.176418 0.000000\n0.000000 0.000000 4.543529\nBa Ni Pt\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.500000 Ni\n0.000000 0.500000 0.000000 Pt\n0.500000 0.000000 0.000000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ni",
"Pt"
],
"chemical_system": "Ba-Ni-Pt",
"density": 12.282452559298234,
"density_atomic": 0.050472959352779755,
"volume": 79.25035605782651,
"volume_molar": 11.93141998650875,
"formula_full": "Ba1 Ni1 Pt2",
"formula_reduced": "BaNiPt2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.5207177925000002,
"spacegroup": 123
},
{
"id": "jvasp-69167",
"created_at": "2022-09-04T14:35:57.531916Z",
"updated_at": "2022-09-04T14:35:57.531941Z",
"structure_string": "Ba1 Ni1 Rh2\n1.0\n-2.163675 2.163675 4.003320\n2.163675 -2.163675 4.003320\n2.163675 2.163675 -4.003320\nBa Ni Rh\n1 1 2\ndirect\n0.250000 0.750001 0.500001 Ba\n0.750001 0.250000 0.500001 Ni\n0.000000 0.000000 0.000000 Rh\n0.500000 0.500000 0.000000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Ni",
"Rh"
],
"chemical_system": "Ba-Ni-Rh",
"density": 8.900791261053353,
"density_atomic": 0.053357520460536274,
"volume": 74.9660022706347,
"volume_molar": 11.286395447206043,
"formula_full": "Ba1 Ni1 Rh2",
"formula_reduced": "BaNiRh2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.7716635925,
"spacegroup": 139
}
]
}