Oqmd Structure
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"created_at": "2022-09-04T15:26:16.530214Z", "updated_at": "2022-09-04T15:26:16.530243Z", "structure_string": "Be1 Cu1 Tc1 Os1\n1.0\n0.000000 2.936618 2.936618\n2.936618 0.000000 2.936618\n2.936618 2.936618 0.000000\nBe Cu Os Tc\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.750000 0.750000 0.750000 Cu\n0.250000 0.250000 0.250000 Os\n0.500000 0.500000 0.500000 Tc\n", "nsites": 4, "nelements": 4, "elements": [ "Be", "Cu", "Os", "Tc" ], "chemical_system": "Be-Cu-Os-Tc", "density": 11.828482609802334, "density_atomic": 0.07897463479339613, "volume": 50.64917375641325, "volume_molar": 7.625411343470463, "formula_full": "Be1 Cu1 Tc1 Os1", "formula_reduced": "BeCuTcOs", "formula_anonymous": "ABCD", "formation_energy": 0.140530868749999, "spacegroup": 216 }, { "id": "oqmd-999378", "created_at": "2022-09-04T15:26:15.158468Z", "updated_at": "2022-09-04T15:26:15.158480Z", "structure_string": "Be1 Cu1 Tc1 Os1\n1.0\n0.000000 2.937136 2.937136\n2.937136 0.000000 2.937136\n2.937136 2.937136 0.000000\nBe Cu Os Tc\n1 1 1 1\ndirect\n0.500001 0.500001 0.500001 Be\n0.750001 0.750001 0.750001 Cu\n0.000000 0.000000 0.000000 Os\n0.250000 0.250000 0.250000 Tc\n", "nsites": 4, "nelements": 4, "elements": [ "Be", "Cu", "Os", "Tc" ], "chemical_system": "Be-Cu-Os-Tc", "density": 11.822225418998205, "density_atomic": 0.07893285772233047, "volume": 50.67598102264555, "volume_molar": 7.629447271736506, "formula_full": "Be1 Cu1 Tc1 Os1", "formula_reduced": "BeCuTcOs", "formula_anonymous": "ABCD", "formation_energy": 0.15574224125, "spacegroup": 216 }, { "id": "oqmd-999377", "created_at": "2022-09-04T15:26:14.793677Z", "updated_at": "2022-09-04T15:26:14.793707Z", "structure_string": "Be1 Cu1 Tc1 Os1\n1.0\n0.000000 2.896286 2.896286\n2.896286 0.000000 2.896286\n2.896286 2.896286 0.000000\nBe Cu Os Tc\n1 1 1 1\ndirect\n0.250000 0.250000 0.250000 Be\n0.750000 0.750000 0.750000 Cu\n0.000000 0.000000 0.000000 Os\n0.500001 0.500001 0.500001 Tc\n", "nsites": 4, "nelements": 4, "elements": [ "Be", "Cu", "Os", "Tc" ], "chemical_system": "Be-Cu-Os-Tc", "density": 12.329545571854053, "density_atomic": 0.08232005666549144, "volume": 48.59083146959008, "volume_molar": 7.315520668882728, "formula_full": "Be1 Cu1 Tc1 Os1", "formula_reduced": "BeCuTcOs", "formula_anonymous": "ABCD", "formation_energy": 0.290485823749999, "spacegroup": 216 }, { "id": "oqmd-999376", "created_at": "2022-09-04T15:26:15.934714Z", "updated_at": "2022-09-04T15:26:15.934740Z", "structure_string": "Be1 Fe1 Cu1 Tc1\n1.0\n0.000000 2.837352 2.837352\n2.837352 0.000000 2.837352\n2.837352 2.837352 0.000000\nBe Cu Fe Tc\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.749999 0.749999 0.749999 Cu\n0.249999 0.249999 0.249999 Fe\n0.500000 0.500000 0.500000 Tc\n", "nsites": 4, "nelements": 4, "elements": [ "Be", "Cu", "Fe", "Tc" ], "chemical_system": "Be-Cu-Fe-Tc", "density": 8.229282587182889, "density_atomic": 0.08755689327892657, "volume": 45.68458119290912, "volume_molar": 6.877974462633687, "formula_full": "Be1 Fe1 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"2022-09-04T15:26:15.967257Z", "structure_string": "Be1 Fe1 Cu1 Tc1\n1.0\n0.000000 2.855850 2.855850\n2.855850 0.000000 2.855850\n2.855850 2.855850 0.000000\nBe Cu Fe Tc\n1 1 1 1\ndirect\n0.249999 0.249999 0.249999 Be\n0.750001 0.750001 0.750001 Cu\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Tc\n", "nsites": 4, "nelements": 4, "elements": [ "Be", "Cu", "Fe", "Tc" ], "chemical_system": "Be-Cu-Fe-Tc", "density": 8.07040722616753, "density_atomic": 0.08586651105159383, "volume": 46.58393535515326, "volume_molar": 7.013375396586838, "formula_full": "Be1 Fe1 Cu1 Tc1", "formula_reduced": "BeFeCuTc", "formula_anonymous": "ABCD", "formation_energy": 0.246921523749999, "spacegroup": 216 }, { "id": "oqmd-999373", "created_at": "2022-09-04T15:26:14.949154Z", "updated_at": "2022-09-04T15:26:14.949184Z", "structure_string": "Be1 Cr1 Cu1 Rh1\n1.0\n0.000000 2.859951 2.859951\n2.859951 0.000000 2.859951\n2.859951 2.859951 0.000000\nBe Cr Cu Rh\n1 1 1 1\ndirect\n0.000000 0.000000 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"structure_string": "Be1 Cu1 Mo1 Rh1\n1.0\n0.000000 2.959061 2.959061\n2.959061 0.000000 2.959061\n2.959061 2.959061 0.000000\nBe Cu Mo Rh\n1 1 1 1\ndirect\n0.500000 0.500000 0.500000 Be\n0.750000 0.750000 0.750000 Cu\n0.000000 0.000000 0.000000 Mo\n0.250000 0.250000 0.250000 Rh\n", "nsites": 4, "nelements": 4, "elements": [ "Be", "Cu", "Mo", "Rh" ], "chemical_system": "Be-Cu-Mo-Rh", "density": 8.697072346865156, "density_atomic": 0.07719127980117114, "volume": 51.819324803309094, "volume_molar": 7.801581701342167, "formula_full": "Be1 Cu1 Mo1 Rh1", "formula_reduced": "BeCuMoRh", "formula_anonymous": "ABCD", "formation_energy": 0.0345191499999995, "spacegroup": 216 } ] }{ "count": 1013513, "next": "