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=-created_at&page=219",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-created_at&page=217",
"results": [
{
"id": "jvasp-118844",
"created_at": "2022-09-04T14:38:49.352967Z",
"updated_at": "2022-09-04T14:38:49.352995Z",
"structure_string": "Ca1 As1 N2\n1.0\n3.249995 0.000000 0.000000\n0.000000 3.249995 0.000000\n-0.000000 0.000000 5.255143\nCa As N\n1 1 2\ndirect\n0.500000 0.500000 0.478685 Ca\n0.000000 0.000000 0.927409 As\n0.000000 0.000000 0.592734 N\n0.500000 0.500000 0.011170 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"As",
"N"
],
"chemical_system": "As-Ca-N",
"density": 4.278334044547656,
"density_atomic": 0.07206262323976097,
"volume": 55.50727714548388,
"volume_molar": 8.356815904360875,
"formula_full": "Ca1 As1 N2",
"formula_reduced": "CaAsN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.9887196675,
"spacegroup": 99
},
{
"id": "jvasp-117944",
"created_at": "2022-09-04T14:38:49.351285Z",
"updated_at": "2022-09-04T14:38:49.351321Z",
"structure_string": "C2 S1\n1.0\n8.466836 0.000000 -0.000000\n0.000000 4.233418 0.000000\n-0.000000 0.000000 8.466836\nC S\n2 1\ndirect\n-0.033593 0.000000 -0.047461 C\n0.165724 0.000000 -0.006724 C\n-0.005568 0.000000 0.207244 S\n",
"nsites": 3,
"nelements": 2,
"elements": [
"C",
"S"
],
"chemical_system": "C-S",
"density": 0.30688327130987825,
"density_atomic": 0.009885253416279268,
"volume": 303.4823563611965,
"volume_molar": 60.92044893945355,
"formula_full": "C2 S1",
"formula_reduced": "C2S",
"formula_anonymous": "AB2",
"energy_above_hull": 5.254199999999999,
"spacegroup": 6
},
{
"id": "jvasp-117037",
"created_at": "2022-09-04T14:38:49.350578Z",
"updated_at": "2022-09-04T14:38:49.350605Z",
"structure_string": "Ba3 Mg1 Ta1 Nb1 O9\n1.0\n5.826537 0.000000 0.000000\n-2.913269 5.045928 0.000000\n-0.000000 -0.000000 7.154280\nBa Mg Ta Nb O\n3 1 1 1 9\ndirect\n0.333333 0.666667 0.000606 Ba\n0.666667 0.333333 0.664473 Ba\n0.000000 0.000000 0.333792 Ba\n0.333333 0.666667 0.497143 Mg\n0.666667 0.333333 0.177428 Ta\n0.000000 0.000000 0.821081 Nb\n0.990552 0.495275 0.326455 O\n0.504725 0.495275 0.326455 O\n0.504725 0.009448 0.326455 O\n0.674349 0.837174 0.673839 O\n0.162826 0.837174 0.673839 O\n0.162826 0.325651 0.673839 O\n0.832156 0.167845 0.001531 O\n0.832156 0.664310 0.001531 O\n0.335690 0.167845 0.001531 O\n",
"nsites": 15,
"nelements": 5,
"elements": [
"Ba",
"Mg",
"Ta",
"Nb",
"O"
],
"chemical_system": "Ba-Mg-Nb-O-Ta",
"density": 6.743075981340067,
"density_atomic": 0.07131383104250924,
"volume": 210.33787949295132,
"volume_molar": 8.444562116443135,
"formula_full": "Ba3 Mg1 Ta1 Nb1 O9",
"formula_reduced": "Ba3MgTaNbO9",
"formula_anonymous": "ABCD3E9",
"energy_above_hull": 2.462127137333333,
"spacegroup": 156
},
{
"id": "jvasp-118169",
"created_at": "2022-09-04T14:38:49.350028Z",
"updated_at": "2022-09-04T14:38:49.350049Z",
"structure_string": "Al2 As1\n1.0\n4.810166 0.000000 1.156455\n0.000000 2.720014 0.000000\n1.445122 0.000000 4.733378\nAl As\n2 1\ndirect\n0.132843 0.000000 -0.200035 Al\n-0.199514 0.000000 0.466698 Al\n0.466671 0.000000 0.133336 As\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Al",
"As"
],
"chemical_system": "Al-As",
"density": 3.7295477225352025,
"density_atomic": 0.05227897183422374,
"volume": 57.38444913402236,
"volume_molar": 11.519241004004758,
"formula_full": "Al2 As1",
"formula_reduced": "Al2As",
"formula_anonymous": "AB2",
"energy_above_hull": 1.7111191166666666,
"spacegroup": 191
},
{
"id": "jvasp-117983",
"created_at": "2022-09-04T14:38:49.348705Z",
"updated_at": "2022-09-04T14:38:49.348724Z",
"structure_string": "Ca1 N1 O2\n1.0\n3.500838 -0.000000 -0.000000\n-0.000000 3.500838 -0.000000\n0.000000 0.000000 4.296123\nCa N O\n1 1 2\ndirect\n0.500001 0.500001 0.495840 Ca\n0.000000 0.000000 0.910185 N\n0.000000 0.000000 0.608257 O\n0.500001 0.500001 0.995716 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"N",
"O"
],
"chemical_system": "Ca-N-O",
"density": 2.714865246278969,
"density_atomic": 0.07596949781630155,
"volume": 52.65271082444459,
"volume_molar": 7.927050899509524,
"formula_full": "Ca1 N1 O2",
"formula_reduced": "CaNO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.1677901675,
"spacegroup": 99
},
{
"id": "jvasp-117249",
"created_at": "2022-09-04T14:38:49.346524Z",
"updated_at": "2022-09-04T14:38:49.346547Z",
"structure_string": "Ti4 V4 O16\n1.0\n3.777789 0.007622 -0.000556\n-0.038546 18.907588 0.003602\n0.000564 -0.000728 3.776186\nTi V O\n4 4 16\ndirect\n-0.000062 0.374967 0.499999 Ti\n0.500001 0.624965 0.000003 Ti\n0.000057 0.874968 0.499999 Ti\n0.500106 0.124967 -0.000001 Ti\n0.999955 0.500021 -0.000003 V\n0.500003 0.750020 0.500002 V\n0.000046 0.000023 0.999997 V\n0.499853 0.250020 0.499997 V\n0.499926 0.353139 0.500002 O\n0.000080 0.103138 0.000001 O\n-0.000075 0.396860 -0.000001 O\n0.500064 0.146863 0.500000 O\n0.000052 0.896862 -0.000003 O\n0.500020 0.646862 0.500002 O\n0.500072 0.018325 0.999998 O\n0.499895 0.231689 1.000000 O\n0.499967 0.518323 -0.000000 O\n-0.000092 0.268324 0.500001 O\n-0.000000 0.603137 0.000003 O\n0.000086 0.981689 0.499998 O\n0.500004 0.731689 0.000001 O\n-0.000042 0.481687 0.500000 O\n0.000013 0.768325 0.500001 O\n0.500049 0.853137 0.499999 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ti",
"V",
"O"
],
"chemical_system": "O-Ti-V",
"density": 4.009135586469747,
"density_atomic": 0.08897791484221836,
"volume": 269.7298542290907,
"volume_molar": 6.768129788924438,
"formula_full": "Ti4 V4 O16",
"formula_reduced": "TiVO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.8198910888888893,
"spacegroup": 119
},
{
"id": "jvasp-119958",
"created_at": "2022-09-04T14:38:49.341468Z",
"updated_at": "2022-09-04T14:38:49.341495Z",
"structure_string": "Ba1 Rh1\n1.0\n7.408481 0.000000 0.000000\n0.000000 7.408481 0.000000\n0.000000 0.000000 10.583545\nBa Rh\n1 1\ndirect\n0.000000 0.000000 0.871909 Ba\n0.000000 0.000000 0.128090 Rh\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ba",
"Rh"
],
"chemical_system": "Ba-Rh",
"density": 0.6867384355207878,
"density_atomic": 0.0034430275049691906,
"volume": 580.8841193146079,
"volume_molar": 174.90829658806018,
"formula_full": "Ba1 Rh1",
"formula_reduced": "BaRh",
"formula_anonymous": "AB",
"energy_above_hull": 2.0701844850000004,
"spacegroup": 99
},
{
"id": "jvasp-119586",
"created_at": "2022-09-04T14:38:49.335248Z",
"updated_at": "2022-09-04T14:38:49.335273Z",
"structure_string": "Li5 Mn2 Co1 O8\n1.0\n2.832761 -0.000000 0.000000\n0.000000 5.797553 0.058417\n-0.000000 0.010057 8.081365\nLi Mn Co O\n5 2 1 8\ndirect\n0.000000 -0.010200 0.494289 Li\n0.500000 0.268605 0.275360 Li\n-0.000000 0.499640 0.005002 Li\n0.500000 0.739577 0.721744 Li\n-0.000000 0.510953 0.495582 Li\n0.000000 -0.002806 0.004610 Mn\n0.500000 0.254344 0.738801 Mn\n0.500000 0.745719 0.254934 Co\n-0.000000 0.528154 0.247698 O\n0.500000 0.770964 0.005418 O\n-0.000000 0.017020 0.763408 O\n0.500000 0.245772 0.520750 O\n-0.000000 0.472408 0.755398 O\n0.500000 0.751012 0.483075 O\n-0.000000 0.983510 0.238152 O\n0.500000 0.225327 0.995777 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.147736108477112,
"density_atomic": 0.12055522665586835,
"volume": 132.71925609391369,
"volume_molar": 4.995337761000225,
"formula_full": "Li5 Mn2 Co1 O8",
"formula_reduced": "Li5Mn2CoO8",
"formula_anonymous": "AB2C5D8",
"energy_above_hull": 2.567128961422414,
"spacegroup": 6
},
{
"id": "jvasp-111298",
"created_at": "2022-09-04T14:38:49.334325Z",
"updated_at": "2022-09-04T14:38:49.334349Z",
"structure_string": "Th3 Mg1\n1.0\n4.502235 -0.015562 -4.141312\n-0.877531 4.415914 -4.141312\n0.012819 0.015562 6.117223\nTh Mg\n3 1\ndirect\n0.500000 0.500000 -0.000000 Th\n0.749999 0.250000 0.500000 Th\n0.250000 0.749999 0.500000 Th\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Th",
"Mg"
],
"chemical_system": "Mg-Th",
"density": 9.796141933178848,
"density_atomic": 0.03275523322237396,
"volume": 122.11789098994231,
"volume_molar": 18.38527822139421,
"formula_full": "Th3 Mg1",
"formula_reduced": "Th3Mg",
"formula_anonymous": "AB3",
"energy_above_hull": 2.3114939625,
"spacegroup": 139
},
{
"id": "jvasp-107725",
"created_at": "2022-09-04T14:38:49.324112Z",
"updated_at": "2022-09-04T14:38:49.324132Z",
"structure_string": "Yb2 U1 Se3 O2\n1.0\n3.803495 0.007681 -10.519994\n-0.109562 3.801924 -10.519994\n-0.007447 -0.007681 11.186456\nYb U Se O\n2 1 3 2\ndirect\n0.993162 0.993162 -0.000001 Yb\n0.306172 0.306172 -0.000000 Yb\n0.694662 0.694662 -0.000001 U\n0.863402 0.863402 -0.000001 Se\n0.128114 0.128114 -0.000000 Se\n0.533984 0.533984 -0.000001 Se\n0.740249 0.240250 0.499999 O\n0.240250 0.740250 0.499999 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Yb",
"U",
"Se",
"O"
],
"chemical_system": "O-Se-U-Yb",
"density": 8.78896580902616,
"density_atomic": 0.04964047067461148,
"volume": 161.15882648331907,
"volume_molar": 12.131514222487041,
"formula_full": "Yb2 U1 Se3 O2",
"formula_reduced": "Yb2USe3O2",
"formula_anonymous": "AB2C2D3",
"energy_above_hull": 1.6532443124999996,
"spacegroup": 107
},
{
"id": "jvasp-117236",
"created_at": "2022-09-04T14:38:49.319422Z",
"updated_at": "2022-09-04T14:38:49.319443Z",
"structure_string": "Si4 Ni4 N8\n1.0\n5.151596 -0.000000 0.000000\n0.000000 6.305590 0.000000\n0.000000 -0.000000 4.960361\nSi Ni N\n4 4 8\ndirect\n0.573796 0.375680 0.005568 Si\n0.426204 0.624320 0.505568 Si\n0.926205 0.875680 0.505568 Si\n0.073796 0.124320 0.005568 Si\n0.570239 0.876379 0.001676 Ni\n0.429761 0.123621 0.501676 Ni\n0.929762 0.376379 0.501676 Ni\n0.070239 0.623621 0.001676 Ni\n0.560212 0.400006 0.356978 N\n0.439789 0.599994 0.856978 N\n0.939789 0.900006 0.856978 N\n0.060211 0.099994 0.356978 N\n0.602886 0.847851 0.405777 N\n0.397114 0.152149 0.905777 N\n0.897115 0.347851 0.905777 N\n0.102886 0.652149 0.405777 N\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Si",
"Ni",
"N"
],
"chemical_system": "N-Ni-Si",
"density": 4.7319596861187465,
"density_atomic": 0.09929769613571746,
"volume": 161.13163368998636,
"volume_molar": 6.0647336185616005,
"formula_full": "Si4 Ni4 N8",
"formula_reduced": "SiNiN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.495694375,
"spacegroup": 33
},
{
"id": "jvasp-118140",
"created_at": "2022-09-04T14:38:49.308650Z",
"updated_at": "2022-09-04T14:38:49.308682Z",
"structure_string": "Co1 P1 O4\n1.0\n-2.365411 2.365411 3.817272\n2.365411 -2.365411 3.817272\n2.365411 2.365411 -3.817272\nCo P O\n1 1 4\ndirect\n0.250000 0.749999 0.500000 Co\n0.000000 0.000000 0.000000 P\n0.274961 0.331841 0.379975 O\n0.668159 0.048135 -0.056880 O\n0.951864 0.894984 0.620024 O\n0.105014 0.725038 0.056880 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Co",
"P",
"O"
],
"chemical_system": "Co-O-P",
"density": 2.9913983815661997,
"density_atomic": 0.07023036541765289,
"volume": 85.43313087321425,
"volume_molar": 8.574838994766633,
"formula_full": "Co1 P1 O4",
"formula_reduced": "CoPO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.6711517333333337,
"spacegroup": 82
}
]
}