Oqmd Structure
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"created_at": "2022-09-04T15:26:15.084305Z", "updated_at": "2022-09-04T15:26:15.084334Z", "structure_string": "Mn1 Be1 Cu1 Ru1\n1.0\n0.000000 2.851902 2.851902\n2.851902 0.000000 2.851902\n2.851902 2.851902 0.000000\nBe Cu Mn Ru\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.750000 0.750000 0.750000 Cu\n0.500001 0.500001 0.500001 Mn\n0.250000 0.250000 0.250000 Ru\n", "nsites": 4, "nelements": 4, "elements": [ "Be", "Cu", "Mn", "Ru" ], "chemical_system": "Be-Cu-Mn-Ru", "density": 8.18139512880363, "density_atomic": 0.08622361009767253, "volume": 46.39100584478977, "volume_molar": 6.984329179882667, "formula_full": "Mn1 Be1 Cu1 Ru1", "formula_reduced": "MnBeCuRu", "formula_anonymous": "ABCD", "formation_energy": 0.0418828040517241, "spacegroup": 216 }, { "id": "oqmd-999390", "created_at": "2022-09-04T15:26:15.508165Z", "updated_at": "2022-09-04T15:26:15.508185Z", "structure_string": "Mn1 Be1 Cu1 Ru1\n1.0\n0.000000 2.835223 2.835223\n2.835223 0.000000 2.835223\n2.835223 2.835223 0.000000\nBe Cu Mn Ru\n1 1 1 1\ndirect\n0.499999 0.499999 0.499999 Be\n0.749999 0.749999 0.749999 Cu\n0.250000 0.250000 0.250000 Mn\n0.000000 0.000000 0.000000 Ru\n", "nsites": 4, "nelements": 4, "elements": [ "Be", "Cu", "Mn", "Ru" ], "chemical_system": "Be-Cu-Mn-Ru", "density": 8.326634300331635, "density_atomic": 0.08775428371746273, "volume": 45.58182040296247, "volume_molar": 6.862503464091997, "formula_full": "Mn1 Be1 Cu1 Ru1", "formula_reduced": "MnBeCuRu", "formula_anonymous": "ABCD", "formation_energy": 0.157813439051725, "spacegroup": 216 }, { "id": "oqmd-999389", "created_at": "2022-09-04T15:26:15.955550Z", "updated_at": "2022-09-04T15:26:15.955571Z", "structure_string": "Mn1 Be1 Cu1 Ru1\n1.0\n0.000000 2.886425 2.886425\n2.886425 0.000000 2.886425\n2.886425 2.886425 0.000000\nBe Cu Mn Ru\n1 1 1 1\ndirect\n0.250000 0.250000 0.250000 Be\n0.749999 0.749999 0.749999 Cu\n0.499999 0.499999 0.499999 Mn\n0.000000 0.000000 0.000000 Ru\n", "nsites": 4, "nelements": 4, "elements": [ "Be", "Cu", "Mn", "Ru" ], "chemical_system": "Be-Cu-Mn-Ru", "density": 7.891332249950703, "density_atomic": 0.08316664142958174, "volume": 48.09620697965603, "volume_molar": 7.241053211339577, "formula_full": "Mn1 Be1 Cu1 Ru1", "formula_reduced": "MnBeCuRu", "formula_anonymous": "ABCD", "formation_energy": 0.111849241551725, "spacegroup": 216 }, { "id": "oqmd-999388", "created_at": "2022-09-04T15:26:15.187668Z", "updated_at": "2022-09-04T15:26:15.187698Z", "structure_string": "Mn1 Be1 Cu1 Os1\n1.0\n0.000000 2.825890 2.825890\n2.825890 0.000000 2.825890\n2.825890 2.825890 0.000000\nBe Cu Mn Os\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.749999 0.749999 0.749999 Cu\n0.500000 0.500000 0.500000 Mn\n0.250001 0.250001 0.250001 Os\n", "nsites": 4, "nelements": 4, "elements": [ "Be", "Cu", "Mn", "Os" ], "chemical_system": "Be-Cu-Mn-Os", "density": 11.68978193004383, "density_atomic": 0.08862663044905802, "volume": 45.133161215004925, "volume_molar": 6.794956244513307, "formula_full": "Mn1 Be1 Cu1 Os1", "formula_reduced": "MnBeCuOs", "formula_anonymous": "ABCD", "formation_energy": 0.0813049465517244, "spacegroup": 216 }, { "id": "oqmd-999387", "created_at": "2022-09-04T15:26:15.629890Z", "updated_at": "2022-09-04T15:26:15.629927Z", "structure_string": "Mn1 Be1 Cu1 Os1\n1.0\n0.000000 2.847051 2.847051\n2.847051 0.000000 2.847051\n2.847051 2.847051 0.000000\nBe Cu Mn Os\n1 1 1 1\ndirect\n0.500000 0.500000 0.500000 Be\n0.750001 0.750001 0.750001 Cu\n0.250001 0.250001 0.250001 Mn\n0.000000 0.000000 0.000000 Os\n", "nsites": 4, "nelements": 4, "elements": [ "Be", "Cu", "Mn", "Os" ], "chemical_system": "Be-Cu-Mn-Os", "density": 11.431057959535028, "density_atomic": 0.08666510252152117, "volume": 46.15467914558455, "volume_molar": 6.9487493636836675, "formula_full": "Mn1 Be1 Cu1 Os1", "formula_reduced": "MnBeCuOs", "formula_anonymous": "ABCD", "formation_energy": 0.195570416551725, "spacegroup": 216 }, { "id": "oqmd-999386", "created_at": "2022-09-04T15:26:14.729816Z", "updated_at": "2022-09-04T15:26:14.729841Z", "structure_string": "Mn1 Be1 Cu1 Os1\n1.0\n0.000000 2.868522 2.868522\n2.868522 0.000000 2.868522\n2.868522 2.868522 0.000000\nBe Cu Mn Os\n1 1 1 1\ndirect\n0.250000 0.250000 0.250000 Be\n0.750000 0.750000 0.750000 Cu\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Os\n", "nsites": 4, "nelements": 4, "elements": [ "Be", "Cu", "Mn", "Os" ], "chemical_system": "Be-Cu-Mn-Os", "density": 11.176288713470504, "density_atomic": 0.08473355752300286, "volume": 47.20679878115714, "volume_molar": 7.107149677228119, "formula_full": "Mn1 Be1 Cu1 Os1", "formula_reduced": "MnBeCuOs", "formula_anonymous": "ABCD", "formation_energy": 0.213764061551725, "spacegroup": 216 }, { "id": "oqmd-999385", "created_at": "2022-09-04T15:26:16.078249Z", "updated_at": "2022-09-04T15:26:16.078278Z", "structure_string": "Mn1 Be1 Fe1 Cu1\n1.0\n0.000000 2.744723 2.744723\n2.744723 0.000000 2.744723\n2.744723 2.744723 0.000000\nBe Cu Fe Mn\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.749999 0.749999 0.749999 Cu\n0.499999 0.499999 0.499999 Fe\n0.250000 0.250000 0.250000 Mn\n", "nsites": 4, "nelements": 4, "elements": [ "Be", "Cu", "Fe", "Mn" ], "chemical_system": "Be-Cu-Fe-Mn", "density": 7.3617941663464785, "density_atomic": 0.09672404064625605, "volume": 41.35476530213412, "volume_molar": 6.22610544365539, "formula_full": "Mn1 Be1 Fe1 Cu1", "formula_reduced": "MnBeFeCu", "formula_anonymous": "ABCD", "formation_energy": 0.154938711551725, "spacegroup": 216 }, { "id": "oqmd-999384", "created_at": "2022-09-04T15:26:15.027151Z", "updated_at": "2022-09-04T15:26:15.027167Z", "structure_string": "Mn1 Be1 Fe1 Cu1\n1.0\n0.000000 2.759591 2.759591\n2.759591 0.000000 2.759591\n2.759591 2.759591 0.000000\nBe Cu Fe Mn\n1 1 1 1\ndirect\n0.500000 0.500000 0.500000 Be\n0.750001 0.750001 0.750001 Cu\n0.250001 0.250001 0.250001 Fe\n0.000000 0.000000 0.000000 Mn\n", "nsites": 4, "nelements": 4, "elements": [ "Be", "Cu", "Fe", "Mn" ], "chemical_system": 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"formula_anonymous": "ABCD", "formation_energy": 0.185753114051725, "spacegroup": 216 }, { "id": "oqmd-999382", "created_at": "2022-09-04T15:26:16.023761Z", "updated_at": "2022-09-04T15:26:16.023798Z", "structure_string": "Be1 Cu1 Tc1 Ru1\n1.0\n0.000000 2.928886 2.928886\n2.928886 0.000000 2.928886\n2.928886 2.928886 0.000000\nBe Cu Ru Tc\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.750000 0.750000 0.750000 Cu\n0.250001 0.250001 0.250001 Ru\n0.499999 0.499999 0.499999 Tc\n", "nsites": 4, "nelements": 4, "elements": [ "Be", "Cu", "Ru", "Tc" ], "chemical_system": "Be-Cu-Ru-Tc", "density": 8.976076067898667, "density_atomic": 0.07960174555382978, "volume": 50.250154342344736, "volume_molar": 7.56533756653313, "formula_full": "Be1 Cu1 Tc1 Ru1", "formula_reduced": "BeCuTcRu", "formula_anonymous": "ABCD", "formation_energy": 0.11413632375, "spacegroup": 216 }, { "id": "oqmd-999381", "created_at": "2022-09-04T15:26:16.624100Z", "updated_at": "2022-09-04T15:26:16.624129Z", "structure_string": "Be1 Cu1 Tc1 Ru1\n1.0\n0.000000 2.921477 2.921477\n2.921477 0.000000 2.921477\n2.921477 2.921477 0.000000\nBe Cu Ru Tc\n1 1 1 1\ndirect\n0.500000 0.500000 0.500000 Be\n0.750001 0.750001 0.750001 Cu\n0.000000 0.000000 0.000000 Ru\n0.250000 0.250000 0.250000 Tc\n", "nsites": 4, "nelements": 4, "elements": [ "Be", "Cu", "Ru", "Tc" ], "chemical_system": "Be-Cu-Ru-Tc", "density": 9.044540628861167, "density_atomic": 0.08020890379535608, "volume": 49.869775183632306, "volume_molar": 7.508070145634715, "formula_full": "Be1 Cu1 Tc1 Ru1", "formula_reduced": "BeCuTcRu", "formula_anonymous": "ABCD", "formation_energy": 0.10412914375, "spacegroup": 216 } ] }{ "count": 1013513, "next": "