Oqmd Structure
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"oqmd-999355", "created_at": "2022-09-04T15:26:14.559099Z", "updated_at": "2022-09-04T15:26:14.559133Z", "structure_string": "Be1 Cu1 Sb1 Pd1\n1.0\n0.000000 3.133305 3.133305\n3.133305 0.000000 3.133305\n3.133305 3.133305 0.000000\nBe Cu Pd Sb\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.749999 0.749999 0.749999 Cu\n0.500001 0.500001 0.500001 Pd\n0.250000 0.250000 0.250000 Sb\n", "nsites": 4, "nelements": 4, "elements": [ "Be", "Cu", "Pd", "Sb" ], "chemical_system": "Be-Cu-Pd-Sb", "density": 8.117076829186349, "density_atomic": 0.06501625954763177, "volume": 61.52307173361069, "volume_molar": 9.26251494918452, "formula_full": "Be1 Cu1 Sb1 Pd1", "formula_reduced": "BeCuSbPd", "formula_anonymous": "ABCD", "formation_energy": 0.15914421875, "spacegroup": 216 }, { "id": "oqmd-999354", "created_at": "2022-09-04T15:26:14.699954Z", "updated_at": "2022-09-04T15:26:14.699984Z", "structure_string": "Be1 V1 Cu1 Pd1\n1.0\n0.000000 2.914931 2.914931\n2.914931 0.000000 2.914931\n2.914931 2.914931 0.000000\nBe Cu Pd V\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 Pd\n0.249999 0.249999 0.249999 V\n", "nsites": 4, "nelements": 4, "elements": [ "Be", "Cu", "Pd", "V" ], "chemical_system": "Be-Cu-Pd-V", "density": 7.707444659652513, "density_atomic": 0.08075048860997967, "volume": 49.53530398211924, "volume_molar": 7.457714329242765, "formula_full": "Be1 V1 Cu1 Pd1", "formula_reduced": "BeVCuPd", "formula_anonymous": "ABCD", "formation_energy": 0.0117126274999997, "spacegroup": 216 }, { "id": "oqmd-999353", "created_at": "2022-09-04T15:26:14.918440Z", "updated_at": "2022-09-04T15:26:14.918455Z", "structure_string": "Be1 V1 Cu1 Pd1\n1.0\n0.000000 2.914731 2.914731\n2.914731 0.000000 2.914731\n2.914731 2.914731 0.000000\nBe Cu Pd V\n1 1 1 1\ndirect\n0.500000 0.500000 0.500000 Be\n0.749999 0.749999 0.749999 Cu\n0.249999 0.249999 0.249999 Pd\n0.000000 0.000000 0.000000 V\n", "nsites": 4, "nelements": 4, "elements": [ "Be", "Cu", "Pd", "V" ], "chemical_system": "Be-Cu-Pd-V", "density": 7.709031352942539, "density_atomic": 0.08076711231136212, "volume": 49.52510849440497, "volume_molar": 7.4561793626894595, "formula_full": "Be1 V1 Cu1 Pd1", "formula_reduced": "BeVCuPd", "formula_anonymous": "ABCD", "formation_energy": -0.0497249725, "spacegroup": 216 }, { "id": "oqmd-999352", "created_at": "2022-09-04T15:26:16.061182Z", "updated_at": "2022-09-04T15:26:16.061214Z", "structure_string": "Be1 V1 Cu1 Pd1\n1.0\n0.000000 2.899189 2.899189\n2.899189 0.000000 2.899189\n2.899189 2.899189 0.000000\nBe Cu Pd V\n1 1 1 1\ndirect\n0.250001 0.250001 0.250001 Be\n0.749999 0.749999 0.749999 Cu\n0.500000 0.500000 0.500000 Pd\n0.000000 0.000000 0.000000 V\n", "nsites": 4, "nelements": 4, "elements": [ "Be", "Cu", "Pd", "V" ], "chemical_system": "Be-Cu-Pd-V", "density": 7.8336771195432995, "density_atomic": 0.08207301939219618, "volume": 48.73708838327856, "volume_molar": 7.337540161916608, "formula_full": "Be1 V1 Cu1 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"structure_string": "Be1 Cu1 Re1 Ru1\n1.0\n0.000000 2.897345 2.897345\n2.897345 0.000000 2.897345\n2.897345 2.897345 0.000000\nBe Cu Re Ru\n1 1 1 1\ndirect\n0.250001 0.250001 0.250001 Be\n0.750000 0.750000 0.750000 Cu\n0.499999 0.499999 0.499999 Re\n0.000000 0.000000 0.000000 Ru\n", "nsites": 4, "nelements": 4, "elements": [ "Be", "Cu", "Re", "Ru" ], "chemical_system": "Be-Cu-Re-Ru", "density": 12.28349886035407, "density_atomic": 0.08222982397303805, "volume": 48.64415131560468, "volume_molar": 7.3235481593327645, "formula_full": "Be1 Cu1 Re1 Ru1", "formula_reduced": "BeCuReRu", "formula_anonymous": "ABCD", "formation_energy": 0.310538243750001, "spacegroup": 216 } ] }{ "count": 1013513, "next": "