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=-volume_molar&page=3509",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=3507",
"results": [
{
"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-36159",
"created_at": "2022-09-04T14:37:28.423773Z",
"updated_at": "2022-09-04T14:37:28.423786Z",
"structure_string": "Cr1 Cu2 Si1\n1.0\n2.947106 2.947106 -0.000000\n2.947106 -0.000000 -2.947106\n0.000000 2.947106 -2.947106\nCr Cu Si\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Cr\n0.750001 0.750001 0.750001 Cu\n0.250000 0.250000 0.250000 Cu\n0.500001 0.500001 0.500001 Si\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cr",
"Cu",
"Si"
],
"chemical_system": "Cr-Cu-Si",
"density": 6.71995314121018,
"density_atomic": 0.07813447993558428,
"volume": 51.193787983201325,
"volume_molar": 7.707404931810872,
"formula_full": "Cr1 Cu2 Si1",
"formula_reduced": "CrCu2Si",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.819126725,
"spacegroup": 225
},
{
"id": "jvasp-71727",
"created_at": "2022-09-04T14:36:14.342675Z",
"updated_at": "2022-09-04T14:36:14.342697Z",
"structure_string": "Be1 Si1 Ir2\n1.0\n-1.762388 1.762388 4.120512\n1.762388 -1.762388 4.120512\n1.762388 1.762388 -4.120512\nBe Si Ir\n1 1 2\ndirect\n0.750000 0.250000 0.500000 Be\n0.500000 0.500000 0.000000 Si\n0.000000 0.000000 0.000000 Ir\n0.250000 0.750000 0.500000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Si",
"Ir"
],
"chemical_system": "Be-Ir-Si",
"density": 13.673040184579255,
"density_atomic": 0.07813502628931976,
"volume": 51.19343001420041,
"volume_molar": 7.707351038318091,
"formula_full": "Be1 Si1 Ir2",
"formula_reduced": "BeSiIr2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.497914225,
"spacegroup": 119
},
{
"id": "jvasp-15599",
"created_at": "2022-09-04T14:35:55.663397Z",
"updated_at": "2022-09-04T14:35:55.663426Z",
"structure_string": "Nd1 Co2 B2\n1.0\n3.386713 -0.000000 -1.175287\n-0.407859 3.362064 -1.175287\n0.041531 0.046874 5.586905\nNd Co B\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.249999 0.749998 0.499999 Co\n0.749999 0.249999 0.499999 Co\n0.662197 0.662197 0.324395 B\n0.337801 0.337801 0.675603 B\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Nd",
"Co",
"B"
],
"chemical_system": "B-Co-Nd",
"density": 7.3630754628125406,
"density_atomic": 0.07814016129693178,
"volume": 63.987582275394246,
"volume_molar": 7.706844547090105,
"formula_full": "Nd1 Co2 B2",
"formula_reduced": "Nd(CoB)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.5506856933333326,
"spacegroup": 139
},
{
"id": "jvasp-22519",
"created_at": "2022-09-04T14:35:44.822393Z",
"updated_at": "2022-09-04T14:35:44.822411Z",
"structure_string": "Cr1 Mo1 F6\n1.0\n4.423798 -0.025901 2.428115\n-1.306582 4.735697 2.430641\n0.111165 0.129927 5.042671\nCr Mo F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500001 0.500001 -0.000001 Mo\n0.244764 0.755609 0.125223 F\n0.755236 0.244393 0.874775 F\n0.370045 0.244367 0.510807 F\n0.629956 0.755634 0.489190 F\n0.880833 0.755667 0.874278 F\n0.119167 0.244335 0.125720 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Cr",
"Mo",
"F"
],
"chemical_system": "Cr-F-Mo",
"density": 4.248382396138839,
"density_atomic": 0.07814208925110039,
"volume": 102.37760567538632,
"volume_molar": 7.706654400611892,
"formula_full": "Cr1 Mo1 F6",
"formula_reduced": "CrMoF6",
"formula_anonymous": "ABC6",
"energy_above_hull": 1.153141874375,
"spacegroup": 148
},
{
"id": "jvasp-120243",
"created_at": "2022-09-04T14:38:51.362930Z",
"updated_at": "2022-09-04T14:38:51.362945Z",
"structure_string": "Hf1 Zr1 O4\n1.0\n3.436078 -3.442825 0.000000\n3.436078 3.442825 0.000000\n0.000000 0.000000 3.245146\nHf Zr O\n1 1 4\ndirect\n0.500001 0.500001 0.000000 Hf\n0.000000 0.000000 0.500001 Zr\n0.196332 0.196332 0.000000 O\n0.306763 0.693239 0.500001 O\n0.693239 0.306763 0.500001 O\n0.803670 0.803670 0.000000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Hf",
"Zr",
"O"
],
"chemical_system": "Hf-O-Zr",
"density": 7.217357246125693,
"density_atomic": 0.07814641372921126,
"volume": 76.7789552159217,
"volume_molar": 7.706227928600278,
"formula_full": "Hf1 Zr1 O4",
"formula_reduced": "HfZrO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.973491916666667,
"spacegroup": 65
},
{
"id": "jvasp-111786",
"created_at": "2022-09-04T14:38:41.368808Z",
"updated_at": "2022-09-04T14:38:41.368832Z",
"structure_string": "Sm2 Ga3 Fe14 C2\n1.0\n6.455406 0.017019 0.704723\n0.695744 6.417827 0.704723\n0.009456 0.008509 6.489862\nSm Ga Fe C\n2 3 14 2\ndirect\n0.351097 0.351097 0.332996 Sm\n0.648904 0.648904 0.667003 Sm\n0.000000 0.000000 0.500000 Ga\n-0.000000 0.500000 -0.000000 Ga\n0.500000 0.000000 -0.000000 Ga\n0.284801 0.715199 -0.000000 Fe\n0.001338 0.284716 0.714540 Fe\n0.715285 0.998663 0.285459 Fe\n0.998662 0.715285 0.285459 Fe\n0.284716 0.001338 0.714540 Fe\n0.715199 0.284802 -0.000001 Fe\n0.849812 0.347394 0.344237 Fe\n0.345424 0.345424 0.846945 Fe\n0.150188 0.652607 0.655762 Fe\n0.652607 0.150188 0.655761 Fe\n0.654576 0.654577 0.153054 Fe\n0.908068 0.908068 0.905197 Fe\n0.091933 0.091933 0.094801 Fe\n0.347394 0.849812 0.344237 Fe\n0.500001 0.000000 0.500000 C\n-0.000000 0.500000 0.500000 C\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Sm",
"Ga",
"Fe",
"C"
],
"chemical_system": "C-Fe-Ga-Sm",
"density": 8.130573059333218,
"density_atomic": 0.07814858951153836,
"volume": 268.718861482451,
"volume_molar": 7.706013374829821,
"formula_full": "Sm2 Ga3 Fe14 C2",
"formula_reduced": "Sm2Ga3(Fe7C)2",
"formula_anonymous": "A2B2C3D14",
"energy_above_hull": 3.7281691297619046,
"spacegroup": 12
},
{
"id": "jvasp-122064",
"created_at": "2022-09-04T14:38:54.338859Z",
"updated_at": "2022-09-04T14:38:54.338894Z",
"structure_string": "Te4 H4 O6 F8\n1.0\n10.612514 0.025370 5.321965\n9.691711 4.307797 0.901267\n0.006706 -0.031188 6.223231\nTe H O F\n4 4 6 8\ndirect\n0.692235 0.410027 0.082759 Te\n0.814978 0.082758 0.410026 Te\n0.839973 0.557764 0.435022 Te\n0.167241 0.435022 0.557764 Te\n0.437965 0.761113 0.806788 H\n0.994133 0.806788 0.761113 H\n0.488886 0.812036 0.255867 H\n0.443212 0.255866 0.812035 H\n0.526875 0.207421 0.604536 O\n0.661166 0.604537 0.207422 O\n0.042578 0.723125 0.588833 O\n0.645463 0.588833 0.723125 O\n0.537109 0.462891 0.462890 O\n0.787109 0.712891 0.712890 O\n0.565148 0.355088 0.847971 F\n0.231793 0.847972 0.355088 F\n0.894911 0.684852 0.018207 F\n0.402028 0.018206 0.684851 F\n0.211029 0.153191 0.359113 F\n0.276667 0.359114 0.153191 F\n0.096810 0.038970 0.973332 F\n0.890885 0.973334 0.038971 F\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Te",
"H",
"O",
"F"
],
"chemical_system": "F-H-O-Te",
"density": 4.497239293085934,
"density_atomic": 0.0781498102813162,
"volume": 281.51060022803006,
"volume_molar": 7.705893000024023,
"formula_full": "Te4 H4 O6 F8",
"formula_reduced": "Te2H2O3F4",
"formula_anonymous": "A2B2C3D4",
"energy_above_hull": 1.35116156030303,
"spacegroup": 43
},
{
"id": "jvasp-38483",
"created_at": "2022-09-04T14:35:55.231501Z",
"updated_at": "2022-09-04T14:35:55.231519Z",
"structure_string": "Mn2 Ga1 W1\n1.0\n0.000045 2.946935 2.946935\n2.946935 0.000045 2.946935\n2.946935 2.946935 0.000045\nMn Ga W\n2 1 1\ndirect\n0.000006 0.000006 0.000006 Mn\n0.499993 0.499993 0.499993 Mn\n0.249998 0.249998 0.249998 Ga\n0.749999 0.749999 0.749999 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Ga",
"W"
],
"chemical_system": "Ga-Mn-W",
"density": 11.790955912048819,
"density_atomic": 0.07814987234515759,
"volume": 51.18370484770027,
"volume_molar": 7.705886880278635,
"formula_full": "Mn2 Ga1 W1",
"formula_reduced": "Mn2GaW",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.9613992019396553,
"spacegroup": 225
},
{
"id": "jvasp-8500",
"created_at": "2022-09-04T14:36:45.826888Z",
"updated_at": "2022-09-04T14:36:45.826911Z",
"structure_string": "V1 Ru3 C1\n1.0\n3.999563 0.000000 -0.000000\n-0.000000 3.999563 0.000000\n-0.000000 0.000000 3.999563\nV Ru C\n1 3 1\ndirect\n0.000000 0.000000 0.000000 V\n0.000000 0.500000 0.500000 Ru\n0.500000 0.000000 0.500000 Ru\n0.500000 0.500000 0.000000 Ru\n0.500000 0.500000 0.500000 C\n",
"nsites": 5,
"nelements": 3,
"elements": [
"V",
"Ru",
"C"
],
"chemical_system": "C-Ru-V",
"density": 9.503530657711167,
"density_atomic": 0.0781506110645638,
"volume": 63.97902629154456,
"volume_molar": 7.705814040308442,
"formula_full": "V1 Ru3 C1",
"formula_reduced": "VRu3C",
"formula_anonymous": "ABC3",
"energy_above_hull": 5.11270514,
"spacegroup": 221
}
]
}