Oqmd Structure
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"created_at": "2022-09-04T15:26:14.402513Z", "updated_at": "2022-09-04T15:26:14.402525Z", "structure_string": "Cu1 Ni1 Ge1 B1\n1.0\n0.000000 2.846673 2.846673\n2.846673 0.000000 2.846673\n2.846673 2.846673 0.000000\nB Cu Ge Ni\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 B\n0.750000 0.750000 0.750000 Cu\n0.250001 0.250001 0.250001 Ge\n0.499999 0.499999 0.499999 Ni\n", "nsites": 4, "nelements": 4, "elements": [ "B", "Cu", "Ge", "Ni" ], "chemical_system": "B-Cu-Ge-Ni", "density": 7.4032152701281895, "density_atomic": 0.0866996309962942, "volume": 46.136297860033245, "volume_molar": 6.945981996460175, "formula_full": "Cu1 Ni1 Ge1 B1", "formula_reduced": "CuNiGeB", "formula_anonymous": "ABCD", "formation_energy": 0.61940251625, "spacegroup": 216 }, { "id": "oqmd-999093", "created_at": "2022-09-04T15:26:15.336963Z", "updated_at": "2022-09-04T15:26:15.336984Z", "structure_string": "Cu1 Ni1 Ge1 B1\n1.0\n0.000000 2.819454 2.819454\n2.819454 0.000000 2.819454\n2.819454 2.819454 0.000000\nB Cu Ge Ni\n1 1 1 1\ndirect\n0.500001 0.500001 0.500001 B\n0.750000 0.750000 0.750000 Cu\n0.000000 0.000000 0.000000 Ge\n0.249999 0.249999 0.249999 Ni\n", "nsites": 4, "nelements": 4, "elements": [ "B", "Cu", "Ge", "Ni" ], "chemical_system": "B-Cu-Ge-Ni", "density": 7.619703712910497, "density_atomic": 0.08923494402169316, "volume": 44.82548898139717, "volume_molar": 6.74863510704507, "formula_full": "Cu1 Ni1 Ge1 B1", "formula_reduced": "CuNiGeB", "formula_anonymous": "ABCD", "formation_energy": 0.51842263125, "spacegroup": 216 }, { "id": "oqmd-999092", "created_at": "2022-09-04T15:26:15.294764Z", "updated_at": "2022-09-04T15:26:15.294796Z", "structure_string": "Cu1 Ni1 Ge1 B1\n1.0\n0.000000 2.842616 2.842616\n2.842616 0.000000 2.842616\n2.842616 2.842616 0.000000\nB Cu Ge Ni\n1 1 1 1\ndirect\n0.250000 0.250000 0.250000 B\n0.749999 0.749999 0.749999 Cu\n0.000000 0.000000 0.000000 Ge\n0.500001 0.500001 0.500001 Ni\n", "nsites": 4, "nelements": 4, "elements": [ "B", "Cu", "Ge", "Ni" ], "chemical_system": "B-Cu-Ge-Ni", "density": 7.4349582814971145, "density_atomic": 0.08707137587631973, "volume": 45.939322305895196, "volume_molar": 6.916326633627716, "formula_full": "Cu1 Ni1 Ge1 B1", "formula_reduced": "CuNiGeB", "formula_anonymous": "ABCD", "formation_energy": 0.63172407625, "spacegroup": 216 }, { "id": "oqmd-999091", "created_at": "2022-09-04T15:26:15.596447Z", "updated_at": "2022-09-04T15:26:15.596467Z", "structure_string": "Cu1 Ni1 Sn1 B1\n1.0\n0.000000 2.980800 2.980800\n2.980800 0.000000 2.980800\n2.980800 2.980800 0.000000\nB Cu Ni Sn\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 B\n0.750000 0.750000 0.750000 Cu\n0.500000 0.500000 0.500000 Ni\n0.250000 0.250000 0.250000 Sn\n", "nsites": 4, "nelements": 4, "elements": [ "B", "Cu", "Ni", "Sn" ], "chemical_system": "B-Cu-Ni-Sn", "density": 7.8923803942673, "density_atomic": 0.07551469680246296, "volume": 52.969821364223996, "volume_molar": 7.974793007185304, "formula_full": "Cu1 Ni1 Sn1 B1", "formula_reduced": "CuNiSnB", "formula_anonymous": "ABCD", "formation_energy": 0.685402450787199, "spacegroup": 216 }, { "id": "oqmd-999090", "created_at": "2022-09-04T15:26:15.454382Z", "updated_at": "2022-09-04T15:26:15.454410Z", "structure_string": "Cu1 Ni1 Sn1 B1\n1.0\n0.000000 2.972038 2.972038\n2.972038 0.000000 2.972038\n2.972038 2.972038 0.000000\nB Cu Ni Sn\n1 1 1 1\ndirect\n0.500000 0.500000 0.500000 B\n0.750001 0.750001 0.750001 Cu\n0.250000 0.250000 0.250000 Ni\n0.000000 0.000000 0.000000 Sn\n", "nsites": 4, "nelements": 4, "elements": [ "B", "Cu", "Ni", "Sn" ], "chemical_system": "B-Cu-Ni-Sn", "density": 7.9623900414199955, "density_atomic": 0.07618455266519145, "volume": 52.50408199650152, "volume_molar": 7.904674306437849, "formula_full": "Cu1 Ni1 Sn1 B1", "formula_reduced": "CuNiSnB", "formula_anonymous": "ABCD", "formation_energy": 0.669065443287199, "spacegroup": 216 }, { "id": "oqmd-999089", "created_at": "2022-09-04T15:26:14.290578Z", "updated_at": "2022-09-04T15:26:14.290594Z", "structure_string": "Cu1 Ni1 Sn1 B1\n1.0\n0.000000 2.970434 2.970434\n2.970434 0.000000 2.970434\n2.970434 2.970434 0.000000\nB Cu Ni Sn\n1 1 1 1\ndirect\n0.250001 0.250001 0.250001 B\n0.750000 0.750000 0.750000 Cu\n0.499999 0.499999 0.499999 Ni\n0.000000 0.000000 0.000000 Sn\n", "nsites": 4, "nelements": 4, "elements": [ "B", "Cu", "Ni", "Sn" ], "chemical_system": "B-Cu-Ni-Sn", "density": 7.975295803430343, "density_atomic": 0.07630803565213971, "volume": 52.41911898026742, "volume_molar": 7.891882825358953, "formula_full": "Cu1 Ni1 Sn1 B1", "formula_reduced": "CuNiSnB", "formula_anonymous": "ABCD", "formation_energy": 0.701418950787199, "spacegroup": 216 }, { "id": "oqmd-999088", "created_at": "2022-09-04T15:26:14.280923Z", "updated_at": "2022-09-04T15:26:14.280944Z", "structure_string": "Cu1 Si1 Ni1 B1\n1.0\n0.000000 2.755172 2.755172\n2.755172 0.000000 2.755172\n2.755172 2.755172 0.000000\nB Cu Ni Si\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 B\n0.750000 0.750000 0.750000 Cu\n0.500000 0.500000 0.500000 Ni\n0.250001 0.250001 0.250001 Si\n", "nsites": 4, "nelements": 4, "elements": [ "B", "Cu", "Ni", "Si" ], "chemical_system": "B-Cu-Ni-Si", "density": 6.396836674250027, "density_atomic": 0.09562773009460097, "volume": 41.8288711448337, "volume_molar": 6.297483746652272, "formula_full": "Cu1 Si1 Ni1 B1", "formula_reduced": "CuSiNiB", "formula_anonymous": "ABCD", "formation_energy": 0.47192088625, "spacegroup": 216 }, { "id": "oqmd-999087", "created_at": "2022-09-04T15:26:15.126135Z", "updated_at": "2022-09-04T15:26:15.126162Z", "structure_string": "Cu1 Si1 Ni1 B1\n1.0\n0.000000 2.741864 2.741864\n2.741864 0.000000 2.741864\n2.741864 2.741864 0.000000\nB Cu Ni Si\n1 1 1 1\ndirect\n0.500001 0.500001 0.500001 B\n0.750001 0.750001 0.750001 Cu\n0.250000 0.250000 0.250000 Ni\n0.000000 0.000000 0.000000 Si\n", "nsites": 4, "nelements": 4, "elements": [ "B", "Cu", "Ni", "Si" ], "chemical_system": "B-Cu-Ni-Si", "density": 6.490433172452451, "density_atomic": 0.09702692490348681, "volume": 41.225670132067165, "volume_molar": 6.206669711515906, "formula_full": "Cu1 Si1 Ni1 B1", "formula_reduced": "CuSiNiB", "formula_anonymous": "ABCD", "formation_energy": 0.36457982125, "spacegroup": 216 }, { "id": "oqmd-999086", "created_at": "2022-09-04T15:26:13.980097Z", "updated_at": "2022-09-04T15:26:13.980118Z", "structure_string": "Cu1 Si1 Ni1 B1\n1.0\n0.000000 2.755259 2.755259\n2.755259 0.000000 2.755259\n2.755259 2.755259 0.000000\nB Cu Ni Si\n1 1 1 1\ndirect\n0.250000 0.250000 0.250000 B\n0.750000 0.750000 0.750000 Cu\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Si\n", "nsites": 4, "nelements": 4, "elements": [ "B", "Cu", "Ni", "Si" ], "chemical_system": "B-Cu-Ni-Si", "density": 6.396230734244353, "density_atomic": 0.0956186717630745, "volume": 41.83283375773369, "volume_molar": 6.298080331968801, "formula_full": "Cu1 Si1 Ni1 B1", "formula_reduced": "CuSiNiB", "formula_anonymous": "ABCD", "formation_energy": 0.500714768749999, "spacegroup": 216 }, { "id": "oqmd-999085", "created_at": "2022-09-04T15:26:15.137194Z", "updated_at": "2022-09-04T15:26:15.137214Z", "structure_string": "Hf1 Cu1 Ni1 B1\n1.0\n0.000000 2.909651 2.909651\n2.909651 0.000000 2.909651\n2.909651 2.909651 0.000000\nB Cu Hf Ni\n1 1 1 1\ndirect\n0.500000 0.500000 0.500000 B\n0.750001 0.750001 0.750001 Cu\n0.000000 0.000000 0.000000 Hf\n0.250001 0.250001 0.250001 Ni\n", "nsites": 4, "nelements": 4, "elements": [ "B", "Cu", "Hf", "Ni" ], "chemical_system": "B-Cu-Hf-Ni", "density": 10.50051921187608, "density_atomic": 0.08119088858954396, "volume": 49.266611925160454, "volume_molar": 7.417261794540271, "formula_full": "Hf1 Cu1 Ni1 B1", "formula_reduced": "HfCuNiB", "formula_anonymous": "ABCD", "formation_energy": 0.13099806625, "spacegroup": 216 }, { "id": "oqmd-999084", "created_at": "2022-09-04T15:26:14.392710Z", "updated_at": "2022-09-04T15:26:14.392733Z", "structure_string": "Hf1 Cu1 Ni1 B1\n1.0\n0.000000 2.905744 2.905744\n2.905744 0.000000 2.905744\n2.905744 2.905744 0.000000\nB Cu Hf Ni\n1 1 1 1\ndirect\n0.250000 0.250000 0.250000 B\n0.750001 0.750001 0.750001 Cu\n0.000000 0.000000 0.000000 Hf\n0.500001 0.500001 0.500001 Ni\n", "nsites": 4, "nelements": 4, "elements": [ "B", "Cu", "Hf", "Ni" ], "chemical_system": "B-Cu-Hf-Ni", "density": 10.54293249602793, "density_atomic": 0.08151883163300745, "volume": 49.06841670655614, "volume_molar": 7.387422806930417, "formula_full": "Hf1 Cu1 Ni1 B1", "formula_reduced": "HfCuNiB", "formula_anonymous": "ABCD", "formation_energy": -0.0134054362500002, "spacegroup": 216 } ] }{ "count": 1013513, "next": "