Oqmd Structure
GET /third-parties/OqmdStructure/?format=api&ordering=-id&page=49
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"oqmd-999426", "created_at": "2022-09-04T15:26:15.559279Z", "updated_at": "2022-09-04T15:26:15.559289Z", "structure_string": "Mg1 Cu1 Bi1 Pt1\n1.0\n0.000000 3.341310 3.341310\n3.341310 0.000000 3.341310\n3.341310 3.341310 0.000000\nBi Cu Mg Pt\n1 1 1 1\ndirect\n0.249999 0.249999 0.249999 Bi\n0.749999 0.749999 0.749999 Cu\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Pt\n", "nsites": 4, "nelements": 4, "elements": [ "Bi", "Cu", "Mg", "Pt" ], "chemical_system": "Bi-Cu-Mg-Pt", "density": 10.94861562700278, "density_atomic": 0.053614181996117075, "volume": 74.60712541114017, "volume_molar": 11.232365273121474, "formula_full": "Mg1 Cu1 Bi1 Pt1", "formula_reduced": "MgCuBiPt", "formula_anonymous": "ABCD", "formation_energy": -0.026897203541667, "spacegroup": 216 }, { "id": "oqmd-999425", "created_at": "2022-09-04T15:26:15.994474Z", "updated_at": "2022-09-04T15:26:15.994488Z", "structure_string": "Cu1 Hg1 Bi1 Pt1\n1.0\n0.000000 3.404366 3.404366\n3.404366 0.000000 3.404366\n3.404366 3.404366 0.000000\nBi Cu Hg Pt\n1 1 1 1\ndirect\n0.500001 0.500001 0.500001 Bi\n0.750000 0.750000 0.750000 Cu\n0.000000 0.000000 0.000000 Hg\n0.250000 0.250000 0.250000 Pt\n", "nsites": 4, "nelements": 4, "elements": [ "Bi", "Cu", "Hg", "Pt" ], "chemical_system": "Bi-Cu-Hg-Pt", "density": 14.061028859657291, "density_atomic": 0.05068987989384097, "volume": 78.91121479035141, "volume_molar": 11.880361075252253, "formula_full": "Cu1 Hg1 Bi1 Pt1", "formula_reduced": "CuHgBiPt", "formula_anonymous": "ABCD", "formation_energy": 0.175016217508433, "spacegroup": 216 }, { "id": "oqmd-999424", "created_at": "2022-09-04T15:26:16.660013Z", "updated_at": "2022-09-04T15:26:16.660035Z", "structure_string": "Cu1 Hg1 Bi1 Pt1\n1.0\n0.000000 3.422639 3.422639\n3.422639 0.000000 3.422639\n3.422639 3.422639 0.000000\nBi Cu Hg Pt\n1 1 1 1\ndirect\n0.250000 0.250000 0.250000 Bi\n0.750000 0.750000 0.750000 Cu\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Pt\n", "nsites": 4, "nelements": 4, "elements": [ "Bi", "Cu", "Hg", "Pt" ], "chemical_system": "Bi-Cu-Hg-Pt", "density": 13.837019372357974, "density_atomic": 0.049882327749569216, "volume": 80.18871974222462, "volume_molar": 12.072693941296691, "formula_full": "Cu1 Hg1 Bi1 Pt1", "formula_reduced": "CuHgBiPt", "formula_anonymous": "ABCD", "formation_energy": 0.273250607508433, "spacegroup": 216 }, { "id": "oqmd-999423", "created_at": "2022-09-04T15:26:16.121765Z", "updated_at": "2022-09-04T15:26:16.121801Z", "structure_string": "Cd1 Cu1 Ni1 Bi1\n1.0\n0.000000 3.304662 3.304662\n3.304662 0.000000 3.304662\n3.304662 3.304662 0.000000\nBi Cd Cu Ni\n1 1 1 1\ndirect\n0.500000 0.500000 0.500000 Bi\n0.000000 0.000000 0.000000 Cd\n0.749999 0.749999 0.749999 Cu\n0.250000 0.250000 0.250000 Ni\n", "nsites": 4, "nelements": 4, "elements": [ "Bi", "Cd", "Cu", "Ni" ], "chemical_system": "Bi-Cd-Cu-Ni", "density": 10.206096079717849, "density_atomic": 0.055417745768224586, "volume": 72.1790456206813, "volume_molar": 10.866809316255107, "formula_full": "Cd1 Cu1 Ni1 Bi1", "formula_reduced": "CdCuNiBi", "formula_anonymous": "ABCD", "formation_energy": 0.20993548875, "spacegroup": 216 }, { "id": "oqmd-999422", "created_at": "2022-09-04T15:26:15.210018Z", "updated_at": "2022-09-04T15:26:15.210040Z", "structure_string": "Cd1 Cu1 Ni1 Bi1\n1.0\n0.000000 3.332614 3.332614\n3.332614 0.000000 3.332614\n3.332614 3.332614 0.000000\nBi Cd Cu Ni\n1 1 1 1\ndirect\n0.250000 0.250000 0.250000 Bi\n0.000000 0.000000 0.000000 Cd\n0.750000 0.750000 0.750000 Cu\n0.499999 0.499999 0.499999 Ni\n", "nsites": 4, "nelements": 4, "elements": [ "Bi", "Cd", "Cu", "Ni" ], "chemical_system": "Bi-Cd-Cu-Ni", "density": 9.951435875766272, "density_atomic": 0.054034974693991975, "volume": 74.02612886658298, "volume_molar": 11.14489419881155, "formula_full": "Cd1 Cu1 Ni1 Bi1", "formula_reduced": "CdCuNiBi", "formula_anonymous": "ABCD", "formation_energy": 0.37686404625, "spacegroup": 216 }, { "id": "oqmd-999421", "created_at": "2022-09-04T15:26:16.346746Z", "updated_at": "2022-09-04T15:26:16.346769Z", "structure_string": "Ca1 Cu1 Ni1 Bi1\n1.0\n0.000000 3.402913 3.402913\n3.402913 0.000000 3.402913\n3.402913 3.402913 0.000000\nBi Ca Cu Ni\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 Bi\n0.249999 0.249999 0.249999 Ca\n0.750000 0.750000 0.750000 Cu\n0.500000 0.500000 0.500000 Ni\n", "nsites": 4, "nelements": 4, "elements": [ "Bi", "Ca", "Cu", "Ni" ], "chemical_system": "Bi-Ca-Cu-Ni", "density": 7.823281185567149, "density_atomic": 0.05075483939934603, "volume": 78.81021883504451, "volume_molar": 11.865155778776032, "formula_full": "Ca1 Cu1 Ni1 Bi1", "formula_reduced": "CaCuNiBi", "formula_anonymous": "ABCD", "formation_energy": 0.105603268749999, "spacegroup": 216 }, { "id": "oqmd-999420", "created_at": "2022-09-04T15:26:15.396336Z", "updated_at": "2022-09-04T15:26:15.396364Z", "structure_string": "Ca1 Cu1 Ni1 Bi1\n1.0\n0.000000 3.377232 3.377232\n3.377232 0.000000 3.377232\n3.377232 3.377232 0.000000\nBi Ca Cu Ni\n1 1 1 1\ndirect\n0.500000 0.500000 0.500000 Bi\n0.000000 0.000000 0.000000 Ca\n0.750000 0.750000 0.750000 Cu\n0.250001 0.250001 0.250001 Ni\n", "nsites": 4, "nelements": 4, "elements": [ "Bi", "Ca", "Cu", "Ni" ], "chemical_system": "Bi-Ca-Cu-Ni", "density": 8.00311008554851, "density_atomic": 0.051921509332513396, "volume": 77.03936290417484, "volume_molar": 11.59854718674158, "formula_full": "Ca1 Cu1 Ni1 Bi1", "formula_reduced": "CaCuNiBi", "formula_anonymous": "ABCD", "formation_energy": -0.11859007125, "spacegroup": 216 }, { "id": "oqmd-999419", "created_at": "2022-09-04T15:26:16.450437Z", "updated_at": "2022-09-04T15:26:16.450463Z", "structure_string": "Ca1 Cu1 Ni1 Bi1\n1.0\n0.000000 3.372722 3.372722\n3.372722 0.000000 3.372722\n3.372722 3.372722 0.000000\nBi Ca Cu Ni\n1 1 1 1\ndirect\n0.250000 0.250000 0.250000 Bi\n0.000000 0.000000 0.000000 Ca\n0.749999 0.749999 0.749999 Cu\n0.500000 0.500000 0.500000 Ni\n", "nsites": 4, "nelements": 4, "elements": [ "Bi", "Ca", "Cu", "Ni" ], "chemical_system": "Bi-Ca-Cu-Ni", "density": 8.035258284738955, "density_atomic": 0.052130076127977605, "volume": 76.73113674685862, "volume_molar": 11.552142654109778, "formula_full": "Ca1 Cu1 Ni1 Bi1", "formula_reduced": "CaCuNiBi", "formula_anonymous": "ABCD", "formation_energy": 0.0056260387499995, "spacegroup": 216 }, { "id": "oqmd-999418", "created_at": "2022-09-04T15:26:16.851251Z", "updated_at": "2022-09-04T15:26:16.851273Z", "structure_string": "Zn1 Cu1 Ni1 Bi1\n1.0\n0.000000 3.201357 3.201357\n3.201357 0.000000 3.201357\n3.201357 3.201357 0.000000\nBi Cu Ni Zn\n1 1 1 1\ndirect\n0.500000 0.500000 0.500000 Bi\n0.750001 0.750001 0.750001 Cu\n0.250000 0.250000 0.250000 Ni\n0.000000 0.000000 0.000000 Zn\n", "nsites": 4, "nelements": 4, "elements": [ "Bi", "Cu", "Ni", "Zn" ], "chemical_system": "Bi-Cu-Ni-Zn", "density": 10.036933019531043, "density_atomic": 0.06095757389599128, "volume": 65.61940944081847, "volume_molar": 9.879233006017044, "formula_full": "Zn1 Cu1 Ni1 Bi1", "formula_reduced": "ZnCuNiBi", "formula_anonymous": "ABCD", "formation_energy": 0.19693010375, "spacegroup": 216 }, { "id": "oqmd-999417", "created_at": "2022-09-04T15:26:16.154575Z", "updated_at": "2022-09-04T15:26:16.154604Z", "structure_string": "Zn1 Cu1 Ni1 Bi1\n1.0\n0.000000 3.219225 3.219225\n3.219225 0.000000 3.219225\n3.219225 3.219225 0.000000\nBi Cu Ni Zn\n1 1 1 1\ndirect\n0.250000 0.250000 0.250000 Bi\n0.749999 0.749999 0.749999 Cu\n0.500001 0.500001 0.500001 Ni\n0.000000 0.000000 0.000000 Zn\n", "nsites": 4, "nelements": 4, "elements": [ "Bi", "Cu", "Ni", "Zn" ], "chemical_system": "Bi-Cu-Ni-Zn", "density": 9.870731820368889, "density_atomic": 0.05994817970557327, "volume": 66.72429454314403, "volume_molar": 10.045577346262831, "formula_full": "Zn1 Cu1 Ni1 Bi1", "formula_reduced": "ZnCuNiBi", "formula_anonymous": "ABCD", "formation_energy": 0.29727885875, "spacegroup": 216 }, { "id": "oqmd-999416", "created_at": "2022-09-04T15:26:15.820211Z", "updated_at": "2022-09-04T15:26:15.820237Z", "structure_string": "Sr1 Cu1 Ni1 Bi1\n1.0\n0.000000 3.558962 3.558962\n3.558962 0.000000 3.558962\n3.558962 3.558962 0.000000\nBi Cu Ni Sr\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 Bi\n0.750001 0.750001 0.750001 Cu\n0.500000 0.500000 0.500000 Ni\n0.250000 0.250000 0.250000 Sr\n", "nsites": 4, "nelements": 4, "elements": [ "Bi", "Cu", "Ni", "Sr" ], "chemical_system": "Bi-Cu-Ni-Sr", "density": 7.714308320764089, "density_atomic": 0.0443669876546928, "volume": 90.15712383116708, "volume_molar": 13.573472255700967, "formula_full": "Sr1 Cu1 Ni1 Bi1", "formula_reduced": "SrCuNiBi", "formula_anonymous": "ABCD", "formation_energy": 0.24820341625, "spacegroup": 216 } ] }{ "count": 1013513, "next": "