Oqmd Structure
GET /third-parties/OqmdStructure/?format=api&ordering=id&page=105
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"oqmd-1001236", "created_at": "2022-09-04T15:26:29.401834Z", "updated_at": "2022-09-04T15:26:29.401857Z", "structure_string": "Lu1 Zr1 Cu1 Ni1\n1.0\n-0.000000 3.225217 3.225217\n3.225217 -0.000000 3.225217\n3.225217 3.225217 -0.000000\nCu Lu Ni Zr\n1 1 1 1\ndirect\n0.749999 0.749999 0.749999 Cu\n0.250000 0.250000 0.250000 Lu\n0.499999 0.499999 0.499999 Ni\n0.000000 0.000000 0.000000 Zr\n", "nsites": 4, "nelements": 4, "elements": [ "Cu", "Lu", "Ni", "Zr" ], "chemical_system": "Cu-Lu-Ni-Zr", "density": 9.612923650839067, "density_atomic": 0.05961467419696463, "volume": 67.09757377494257, "volume_molar": 10.101775848179718, "formula_full": "Lu1 Zr1 Cu1 Ni1", "formula_reduced": "LuZrCuNi", "formula_anonymous": "ABCD", "formation_energy": 0.0245665837499995, "spacegroup": 216 }, { "id": "oqmd-1001237", "created_at": "2022-09-04T15:26:27.624011Z", "updated_at": "2022-09-04T15:26:27.624026Z", "structure_string": "Lu1 Zr1 Cu1 Ni1\n1.0\n0.000000 3.286616 3.286616\n3.286616 0.000000 3.286616\n3.286616 3.286616 0.000000\nCu Lu Ni Zr\n1 1 1 1\ndirect\n0.749999 0.749999 0.749999 Cu\n0.500001 0.500001 0.500001 Lu\n0.250000 0.250000 0.250000 Ni\n0.000000 0.000000 0.000000 Zr\n", "nsites": 4, "nelements": 4, "elements": [ "Cu", "Lu", "Ni", "Zr" ], "chemical_system": "Cu-Lu-Ni-Zr", "density": 9.084173459958725, "density_atomic": 0.05633562283799924, "volume": 71.00303144783798, "volume_molar": 10.689756244139673, "formula_full": "Lu1 Zr1 Cu1 Ni1", "formula_reduced": "LuZrCuNi", "formula_anonymous": "ABCD", "formation_energy": -0.283073696250001, "spacegroup": 216 }, { "id": "oqmd-1001238", "created_at": "2022-09-04T15:26:27.715103Z", "updated_at": "2022-09-04T15:26:27.715133Z", "structure_string": "Lu1 Zr1 Cu1 Ni1\n1.0\n0.000000 3.211775 3.211775\n3.211775 0.000000 3.211775\n3.211775 3.211775 0.000000\nCu Lu Ni Zr\n1 1 1 1\ndirect\n0.750000 0.750000 0.750000 Cu\n0.000000 0.000000 0.000000 Lu\n0.500001 0.500001 0.500001 Ni\n0.249999 0.249999 0.249999 Zr\n", "nsites": 4, "nelements": 4, "elements": [ "Cu", "Lu", "Ni", "Zr" ], "chemical_system": "Cu-Lu-Ni-Zr", "density": 9.734126234471404, "density_atomic": 0.06036631363544508, "volume": 66.26212135722221, "volume_molar": 9.97599554673486, "formula_full": "Lu1 Zr1 Cu1 Ni1", "formula_reduced": "LuZrCuNi", "formula_anonymous": "ABCD", "formation_energy": -0.0283499562500005, "spacegroup": 216 }, { "id": "oqmd-1001239", "created_at": "2022-09-04T15:26:27.307993Z", "updated_at": "2022-09-04T15:26:27.308020Z", "structure_string": "Lu1 Cu1 Pt1 Pb1\n1.0\n0.000000 3.368693 3.368693\n3.368693 0.000000 3.368693\n3.368693 3.368693 0.000000\nCu Lu Pb Pt\n1 1 1 1\ndirect\n0.750000 0.750000 0.750000 Cu\n0.000000 0.000000 0.000000 Lu\n0.250001 0.250001 0.250001 Pb\n0.500000 0.500000 0.500000 Pt\n", "nsites": 4, "nelements": 4, "elements": [ "Cu", "Lu", "Pb", "Pt" ], "chemical_system": "Cu-Lu-Pb-Pt", "density": 13.917308985007613, "density_atomic": 0.0523173446424326, "volume": 76.45647972652941, "volume_molar": 11.510792073181161, "formula_full": "Lu1 Cu1 Pt1 Pb1", "formula_reduced": "LuCuPtPb", "formula_anonymous": "ABCD", "formation_energy": -0.29905012375, "spacegroup": 216 }, { "id": "oqmd-1001240", "created_at": "2022-09-04T15:26:27.593241Z", "updated_at": "2022-09-04T15:26:27.593256Z", "structure_string": "Lu1 Ti1 Cu1 Pt1\n1.0\n0.000000 3.210962 3.210962\n3.210962 0.000000 3.210962\n3.210962 3.210962 0.000000\nCu Lu Pt Ti\n1 1 1 1\ndirect\n0.750001 0.750001 0.750001 Cu\n0.250000 0.250000 0.250000 Lu\n0.500000 0.500000 0.500000 Pt\n0.000000 0.000000 0.000000 Ti\n", "nsites": 4, "nelements": 4, "elements": [ "Cu", "Lu", "Pt", "Ti" ], "chemical_system": "Cu-Lu-Pt-Ti", "density": 12.07472986599621, "density_atomic": 0.06041217861948898, "volume": 66.21181509103198, "volume_molar": 9.96842176133217, "formula_full": "Lu1 Ti1 Cu1 Pt1", "formula_reduced": "LuTiCuPt", "formula_anonymous": "ABCD", "formation_energy": -0.383498574696565, "spacegroup": 216 }, { "id": "oqmd-1001241", "created_at": "2022-09-04T15:26:27.532704Z", "updated_at": "2022-09-04T15:26:27.532729Z", "structure_string": "Lu1 Ti1 Cu1 Pt1\n1.0\n0.000000 3.266876 3.266876\n3.266876 0.000000 3.266876\n3.266876 3.266876 0.000000\nCu Lu Pt Ti\n1 1 1 1\ndirect\n0.750001 0.750001 0.750001 Cu\n0.499999 0.499999 0.499999 Lu\n0.250000 0.250000 0.250000 Pt\n0.000000 0.000000 0.000000 Ti\n", "nsites": 4, "nelements": 4, "elements": [ "Cu", "Lu", "Pt", "Ti" ], "chemical_system": "Cu-Lu-Pt-Ti", "density": 11.465288050532319, "density_atomic": 0.05736302487256558, "volume": 69.73132970038054, "volume_molar": 10.498297070941506, "formula_full": "Lu1 Ti1 Cu1 Pt1", "formula_reduced": "LuTiCuPt", "formula_anonymous": "ABCD", "formation_energy": -0.572977154696566, "spacegroup": 216 }, { "id": "oqmd-1001242", "created_at": "2022-09-04T15:26:26.902491Z", "updated_at": "2022-09-04T15:26:26.902512Z", "structure_string": "Lu1 Ti1 Cu1 Pt1\n1.0\n0.000000 3.188764 3.188764\n3.188764 0.000000 3.188764\n3.188764 3.188764 0.000000\nCu Lu Pt Ti\n1 1 1 1\ndirect\n0.750001 0.750001 0.750001 Cu\n0.000000 0.000000 0.000000 Lu\n0.499999 0.499999 0.499999 Pt\n0.250001 0.250001 0.250001 Ti\n", "nsites": 4, "nelements": 4, "elements": [ "Cu", "Lu", "Pt", "Ti" ], "chemical_system": "Cu-Lu-Pt-Ti", "density": 12.328657462125944, "density_atomic": 0.061682626858418715, "volume": 64.84808127872496, "volume_molar": 9.763106836910062, "formula_full": "Lu1 Ti1 Cu1 Pt1", "formula_reduced": "LuTiCuPt", "formula_anonymous": "ABCD", "formation_energy": -0.501404039696566, "spacegroup": 216 }, { "id": "oqmd-1001243", "created_at": "2022-09-04T15:26:25.728094Z", "updated_at": "2022-09-04T15:26:25.728120Z", "structure_string": "Lu1 Cu1 Si1 Pt1\n1.0\n0.000000 3.172067 3.172067\n3.172067 0.000000 3.172067\n3.172067 3.172067 0.000000\nCu Lu Pt Si\n1 1 1 1\ndirect\n0.750000 0.750000 0.750000 Cu\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 0.500000 Pt\n0.249999 0.249999 0.249999 Si\n", "nsites": 4, "nelements": 4, "elements": [ "Cu", "Lu", "Pt", "Si" ], "chemical_system": "Cu-Lu-Pt-Si", "density": 12.0097912644185, "density_atomic": 0.0626618106751202, "volume": 63.83473373820326, "volume_molar": 9.610543798714525, "formula_full": "Lu1 Cu1 Si1 Pt1", "formula_reduced": "LuCuSiPt", "formula_anonymous": "ABCD", "formation_energy": -0.552430565, "spacegroup": 216 }, { "id": "oqmd-1001244", "created_at": "2022-09-04T15:26:25.726329Z", "updated_at": "2022-09-04T15:26:25.726356Z", "structure_string": "Lu1 Cu1 Sn1 Pt1\n1.0\n0.000000 3.321064 3.321064\n3.321064 0.000000 3.321064\n3.321064 3.321064 0.000000\nCu Lu Pt Sn\n1 1 1 1\ndirect\n0.750001 0.750001 0.750001 Cu\n0.000000 0.000000 0.000000 Lu\n0.500001 0.500001 0.500001 Pt\n0.250000 0.250000 0.250000 Sn\n", "nsites": 4, "nelements": 4, "elements": [ "Cu", "Lu", "Pt", "Sn" ], "chemical_system": "Cu-Lu-Pt-Sn", "density": 12.51895027826369, "density_atomic": 0.054600706323981826, "volume": 73.25912555536141, "volume_molar": 11.02941915122249, "formula_full": "Lu1 Cu1 Sn1 Pt1", "formula_reduced": "LuCuSnPt", "formula_anonymous": "ABCD", "formation_energy": -0.493499870462801, "spacegroup": 216 }, { "id": "oqmd-1001245", "created_at": "2022-09-04T15:26:27.735411Z", "updated_at": "2022-09-04T15:26:27.735433Z", "structure_string": "Lu1 Zr1 Cu1 Pt1\n1.0\n0.000000 3.280235 3.280235\n3.280235 0.000000 3.280235\n3.280235 3.280235 0.000000\nCu Lu Pt Zr\n1 1 1 1\ndirect\n0.750000 0.750000 0.750000 Cu\n0.250000 0.250000 0.250000 Lu\n0.500001 0.500001 0.500001 Pt\n0.000000 0.000000 0.000000 Zr\n", "nsites": 4, "nelements": 4, "elements": [ "Cu", "Lu", "Pt", "Zr" ], "chemical_system": "Cu-Lu-Pt-Zr", "density": 12.345691818010062, "density_atomic": 0.056665029740296066, "volume": 70.59027443085395, "volume_molar": 10.627614222740785, "formula_full": "Lu1 Zr1 Cu1 Pt1", "formula_reduced": "LuZrCuPt", "formula_anonymous": "ABCD", "formation_energy": -0.38697787875, "spacegroup": 216 }, { "id": "oqmd-1001246", "created_at": "2022-09-04T15:26:28.079190Z", "updated_at": "2022-09-04T15:26:28.079214Z", "structure_string": "Lu1 Zr1 Cu1 Pt1\n1.0\n0.000000 3.356553 3.356553\n3.356553 0.000000 3.356553\n3.356553 3.356553 0.000000\nCu Lu Pt Zr\n1 1 1 1\ndirect\n0.750000 0.750000 0.750000 Cu\n0.500000 0.500000 0.500000 Lu\n0.250001 0.250001 0.250001 Pt\n0.000000 0.000000 0.000000 Zr\n", "nsites": 4, "nelements": 4, "elements": [ "Cu", "Lu", "Pt", "Zr" ], "chemical_system": "Cu-Lu-Pt-Zr", "density": 11.522581244044618, "density_atomic": 0.0528870652616054, "volume": 75.63285994815624, "volume_molar": 11.38679321722908, "formula_full": "Lu1 Zr1 Cu1 Pt1", "formula_reduced": "LuZrCuPt", "formula_anonymous": "ABCD", "formation_energy": -0.66399426125, "spacegroup": 216 } ] }{ "count": 1013513, "next": "