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=-energy_above_hull&page=1038",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=1036",
"results": [
{
"id": "jvasp-106831",
"created_at": "2022-09-04T14:36:46.293692Z",
"updated_at": "2022-09-04T14:36:46.293722Z",
"structure_string": "Ce2 Si3\n1.0\n4.015305 -0.012626 -6.409985\n-0.293226 3.779114 -6.545461\n0.000668 0.012626 7.563768\nCe Si\n2 3\ndirect\n0.627123 0.127123 0.499999 Ce\n0.876195 0.876196 -0.000004 Ce\n0.463719 0.463719 -0.000002 Si\n0.200869 0.700870 0.499999 Si\n0.296088 0.296088 -0.000001 Si\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Ce",
"Si"
],
"chemical_system": "Ce-Si",
"density": 5.25759627324415,
"density_atomic": 0.04343344828117952,
"volume": 115.11865158923126,
"volume_molar": 13.865214479434966,
"formula_full": "Ce2 Si3",
"formula_reduced": "Ce2Si3",
"formula_anonymous": "A2B3",
"energy_above_hull": 2.81675736,
"spacegroup": 44
},
{
"id": "jvasp-58264",
"created_at": "2022-09-04T14:37:09.875511Z",
"updated_at": "2022-09-04T14:37:09.875531Z",
"structure_string": "Ca1 Mn4 Al8\n1.0\n4.607280 0.000000 1.879705\n2.303640 6.230946 0.939852\n-0.050137 0.000000 6.709117\nCa Mn Al\n1 4 8\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 -0.000000 0.500000 Mn\n-0.000000 0.500000 -0.000000 Mn\n0.500000 0.500000 -0.000001 Mn\n-0.000000 -0.000000 0.500000 Mn\n0.338131 0.661868 0.661868 Al\n-0.000001 0.338132 0.661868 Al\n-0.000000 0.661868 0.338132 Al\n0.661868 0.338132 0.338132 Al\n0.277261 0.222739 0.222739 Al\n0.500000 0.777262 0.222738 Al\n0.499999 0.222739 0.777261 Al\n0.722738 0.777262 0.777261 Al\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ca",
"Mn",
"Al"
],
"chemical_system": "Al-Ca-Mn",
"density": 4.088652599843657,
"density_atomic": 0.0672910495597787,
"volume": 193.1906261686603,
"volume_molar": 8.949393417693937,
"formula_full": "Ca1 Mn4 Al8",
"formula_reduced": "Ca(MnAl2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 2.816693214270557,
"spacegroup": 139
},
{
"id": "jvasp-111127",
"created_at": "2022-09-04T14:38:46.521452Z",
"updated_at": "2022-09-04T14:38:46.521478Z",
"structure_string": "Co1 Ni1 N1\n1.0\n2.840164 -0.461298 0.000000\n-1.832729 3.155318 0.000000\n-0.000000 0.000000 3.653946\nCo Ni N\n1 1 1\ndirect\n0.862980 0.931547 0.500001 Co\n0.785248 0.392654 -0.000000 Ni\n0.685101 0.342599 0.500001 N\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Co",
"Ni",
"N"
],
"chemical_system": "Co-N-Ni",
"density": 7.370563872892757,
"density_atomic": 0.10115960359072525,
"volume": 29.656106721587165,
"volume_molar": 5.953108302366001,
"formula_full": "Co1 Ni1 N1",
"formula_reduced": "CoNiN",
"formula_anonymous": "ABC",
"energy_above_hull": 2.81658885,
"spacegroup": 38
},
{
"id": "jvasp-68073",
"created_at": "2022-09-04T14:36:01.665211Z",
"updated_at": "2022-09-04T14:36:01.665238Z",
"structure_string": "La1 Be1 Os1\n1.0\n2.003062 -3.469406 0.000000\n2.003062 3.469406 -0.000000\n0.000000 -0.000000 4.227563\nLa Be Os\n1 1 1\ndirect\n0.333332 0.666667 0.333339 La\n0.000000 0.000000 0.833352 Be\n0.666667 0.333332 0.833308 Os\n",
"nsites": 3,
"nelements": 3,
"elements": [
"La",
"Be",
"Os"
],
"chemical_system": "Be-La-Os",
"density": 9.556214126073794,
"density_atomic": 0.0510565721329963,
"volume": 58.75835126935973,
"volume_molar": 11.795035405653632,
"formula_full": "La1 Be1 Os1",
"formula_reduced": "LaBeOs",
"formula_anonymous": "ABC",
"energy_above_hull": 2.8164687000000006,
"spacegroup": 187
},
{
"id": "jvasp-7813",
"created_at": "2022-09-04T14:36:37.664364Z",
"updated_at": "2022-09-04T14:36:37.664385Z",
"structure_string": "Mg2 Si2 N4\n1.0\n4.201105 -0.000000 -1.909347\n-0.867773 4.110505 -1.909347\n-0.173626 -0.214107 5.194458\nMg Si N\n2 2 4\ndirect\n0.250001 0.750001 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.500001 0.500001 0.000000 Si\n0.750001 0.250000 0.500000 Si\n0.813769 0.875001 0.250000 N\n0.625000 0.186232 0.750000 N\n0.436233 0.375000 0.250000 N\n0.125000 0.563768 0.750000 N\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Si",
"N"
],
"chemical_system": "Mg-N-Si",
"density": 3.095381058943602,
"density_atomic": 0.0927359018616664,
"volume": 86.26648190615057,
"volume_molar": 6.493861211360398,
"formula_full": "Mg2 Si2 N4",
"formula_reduced": "MgSiN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.8164685375,
"spacegroup": 122
},
{
"id": "jvasp-52989",
"created_at": "2022-09-04T14:36:47.692461Z",
"updated_at": "2022-09-04T14:36:47.692482Z",
"structure_string": "Sr3 Mn4 O12\n1.0\n2.711445 -4.696361 -0.000000\n2.711445 4.696361 0.000000\n-0.000000 0.000000 9.113668\nSr Mn O\n3 4 12\ndirect\n0.000000 0.000000 0.500000 Sr\n0.333334 0.666668 0.240514 Sr\n0.666668 0.333334 0.759486 Sr\n0.333334 0.666668 0.893046 Mn\n0.333334 0.666668 0.614463 Mn\n0.666668 0.333334 0.385537 Mn\n0.666668 0.333334 0.106955 Mn\n0.816927 0.633853 0.251429 O\n0.500000 0.000000 0.000000 O\n0.366149 0.183075 0.251429 O\n0.500001 0.500001 0.500000 O\n0.500001 0.500001 0.000000 O\n0.500000 0.000000 0.500000 O\n0.183075 0.366149 0.748571 O\n0.816926 0.183076 0.251429 O\n0.183076 0.816926 0.748571 O\n0.000000 0.500000 0.500000 O\n0.633853 0.816927 0.748571 O\n0.000000 0.500000 0.000000 O\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Sr",
"Mn",
"O"
],
"chemical_system": "Mn-O-Sr",
"density": 4.826287272482591,
"density_atomic": 0.08185931935300624,
"volume": 232.10552140148275,
"volume_molar": 7.356695373962745,
"formula_full": "Sr3 Mn4 O12",
"formula_reduced": "Sr3Mn4O12",
"formula_anonymous": "A3B4C12",
"energy_above_hull": 2.8163831523956437,
"spacegroup": 164
},
{
"id": "jvasp-57518",
"created_at": "2022-09-04T14:37:28.803373Z",
"updated_at": "2022-09-04T14:37:28.803389Z",
"structure_string": "Sr2 Ca2 C4 O12\n1.0\n5.290251 0.000000 0.000000\n0.000000 6.432407 0.000000\n0.000000 0.000000 7.315047\nSr Ca C O\n2 2 4 12\ndirect\n0.000000 0.112407 0.255679 Sr\n0.000000 0.887594 0.755680 Sr\n0.500000 0.482120 0.549420 Ca\n0.500000 0.517880 0.049420 Ca\n0.500000 0.962269 0.076696 C\n0.500000 0.037731 0.576696 C\n0.000000 0.587619 0.338053 C\n0.000000 0.412381 0.838053 C\n0.000000 0.241114 0.924481 O\n0.210757 0.506912 0.795769 O\n0.500000 0.151979 0.134371 O\n0.711475 0.137319 0.551882 O\n0.711475 0.862681 0.051882 O\n0.288524 0.862681 0.051882 O\n0.210757 0.493088 0.295768 O\n0.789242 0.506912 0.795769 O\n0.500000 0.848021 0.634371 O\n0.789242 0.493088 0.295768 O\n0.000000 0.758886 0.424480 O\n0.288524 0.137319 0.551882 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"Ca",
"C",
"O"
],
"chemical_system": "C-Ca-O-Sr",
"density": 3.304957555880137,
"density_atomic": 0.0803457817959685,
"volume": 248.92408229704395,
"volume_molar": 7.495279310733113,
"formula_full": "Sr2 Ca2 C4 O12",
"formula_reduced": "SrCa(CO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.816367773,
"spacegroup": 26
},
{
"id": "jvasp-67905",
"created_at": "2022-09-04T14:35:47.576146Z",
"updated_at": "2022-09-04T14:35:47.576166Z",
"structure_string": "Be1 V2 Ge1\n1.0\n-1.786996 1.786996 3.951095\n1.786996 -1.786996 3.951095\n1.786996 1.786996 -3.951095\nBe V Ge\n1 2 1\ndirect\n0.499999 0.499999 0.000000 Be\n0.000000 0.000000 0.000000 V\n0.250000 0.750001 0.500001 V\n0.750001 0.250000 0.500001 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"V",
"Ge"
],
"chemical_system": "Be-Ge-V",
"density": 6.038704805804452,
"density_atomic": 0.0792565871347983,
"volume": 50.46899121705639,
"volume_molar": 7.598284228107932,
"formula_full": "Be1 V2 Ge1",
"formula_reduced": "BeV2Ge",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.8161051125,
"spacegroup": 119
},
{
"id": "jvasp-71078",
"created_at": "2022-09-04T14:36:08.543113Z",
"updated_at": "2022-09-04T14:36:08.543144Z",
"structure_string": "Be1 Tc2 Hg1\n1.0\n2.961179 0.000000 0.000000\n0.000000 2.961179 0.000000\n0.000000 0.000000 6.731630\nBe Tc Hg\n1 2 1\ndirect\n0.000000 0.000000 0.458514 Be\n0.000000 0.000000 0.049599 Tc\n0.500000 0.500000 0.269246 Tc\n0.500000 0.500000 0.722641 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Tc",
"Hg"
],
"chemical_system": "Be-Hg-Tc",
"density": 11.410372468607957,
"density_atomic": 0.06776577859113408,
"volume": 59.0268433885201,
"volume_molar": 8.886698987603586,
"formula_full": "Be1 Tc2 Hg1",
"formula_reduced": "BeTc2Hg",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.816070925,
"spacegroup": 99
},
{
"id": "jvasp-91322",
"created_at": "2022-09-04T14:36:10.846656Z",
"updated_at": "2022-09-04T14:36:10.846683Z",
"structure_string": "Na4 Ca2 V8 O24\n1.0\n4.962611 0.000000 -0.000000\n-0.000000 10.423553 0.000000\n-0.000000 -0.000000 10.423553\nNa Ca V O\n4 2 8 24\ndirect\n0.500000 0.500000 0.500000 Na\n0.500000 0.000000 0.000000 Na\n0.500000 0.500000 0.000000 Na\n0.500000 0.000000 0.500000 Na\n0.500000 0.250000 0.250000 Ca\n0.500000 0.750000 0.750000 Ca\n0.000000 0.027165 0.750000 V\n0.000000 0.527165 0.250000 V\n0.000000 0.250000 0.972835 V\n0.000000 0.972835 0.250000 V\n0.000000 0.472835 0.750000 V\n0.000000 0.750000 0.472835 V\n0.000000 0.250000 0.527165 V\n0.000000 0.750000 0.027165 V\n0.846273 0.870692 0.370692 O\n0.242126 0.438815 0.182010 O\n0.242126 0.182010 0.061185 O\n0.846273 0.129308 0.870692 O\n0.846273 0.370692 0.629308 O\n0.242126 0.561185 0.682010 O\n0.153727 0.370692 0.870692 O\n0.242126 0.938815 0.817989 O\n0.242126 0.682010 0.938815 O\n0.242126 0.817989 0.561185 O\n0.757874 0.682010 0.561185 O\n0.757874 0.938815 0.682010 O\n0.757874 0.561185 0.817989 O\n0.757874 0.817989 0.938815 O\n0.757874 0.438815 0.317989 O\n0.757874 0.061185 0.182010 O\n0.757874 0.317989 0.061185 O\n0.757874 0.182010 0.438815 O\n0.242126 0.317989 0.438815 O\n0.242126 0.061185 0.317989 O\n0.153727 0.629308 0.370692 O\n0.153727 0.129308 0.629308 O\n0.153727 0.870692 0.129308 O\n0.846273 0.629308 0.129308 O\n",
"nsites": 38,
"nelements": 4,
"elements": [
"Na",
"Ca",
"V",
"O"
],
"chemical_system": "Ca-Na-O-V",
"density": 2.9676919886979394,
"density_atomic": 0.07047609053881512,
"volume": 539.1899537768951,
"volume_molar": 8.544941573743042,
"formula_full": "Na4 Ca2 V8 O24",
"formula_reduced": "Na2CaV4O12",
"formula_anonymous": "AB2C4D12",
"energy_above_hull": 2.8160698536842106,
"spacegroup": 125
},
{
"id": "jvasp-104690",
"created_at": "2022-09-04T14:36:46.837992Z",
"updated_at": "2022-09-04T14:36:46.838010Z",
"structure_string": "Ta1 Fe1 Pb2 O6\n1.0\n4.827707 -0.000000 2.787278\n1.609236 4.551606 2.787278\n-0.000000 -0.000000 5.574556\nTa Fe Pb O\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500001 0.500000 0.500000 Fe\n0.750001 0.750001 0.750000 Pb\n0.250000 0.250000 0.250000 Pb\n0.254173 0.745828 0.745827 O\n0.745828 0.254173 0.254173 O\n0.745828 0.254173 0.745828 O\n0.254173 0.745828 0.254173 O\n0.745828 0.745828 0.254173 O\n0.254173 0.254173 0.745828 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ta",
"Fe",
"Pb",
"O"
],
"chemical_system": "Fe-O-Pb-Ta",
"density": 10.128937275397362,
"density_atomic": 0.0816364576894537,
"volume": 122.49429094584369,
"volume_molar": 7.376778623722641,
"formula_full": "Ta1 Fe1 Pb2 O6",
"formula_reduced": "TaFe(PbO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.815999734,
"spacegroup": 225
},
{
"id": "jvasp-22237",
"created_at": "2022-09-04T14:37:34.936488Z",
"updated_at": "2022-09-04T14:37:34.936504Z",
"structure_string": "Sr1 As4 Rh6\n1.0\n3.653497 -6.328042 -0.000000\n3.653497 6.328042 0.000000\n-0.000000 0.000000 3.877320\nSr As Rh\n1 4 6\ndirect\n0.000000 0.000000 0.000000 Sr\n0.380908 0.190455 0.500000 As\n0.809546 0.619093 0.500000 As\n0.333333 0.666667 0.000000 As\n0.809546 0.190455 0.500000 As\n0.201759 0.798242 0.500000 Rh\n0.596484 0.798242 0.500000 Rh\n0.930090 0.465045 0.000000 Rh\n0.534955 0.069911 0.000000 Rh\n0.534956 0.465045 0.000000 Rh\n0.201759 0.403517 0.500000 Rh\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Sr",
"As",
"Rh"
],
"chemical_system": "As-Rh-Sr",
"density": 9.305994285314014,
"density_atomic": 0.061355420389617325,
"volume": 179.28326348590124,
"volume_molar": 9.815173169311505,
"formula_full": "Sr1 As4 Rh6",
"formula_reduced": "Sr(As2Rh3)2",
"formula_anonymous": "AB4C6",
"energy_above_hull": 2.815806482727273,
"spacegroup": 187
}
]
}