Information card for entry 1512514

Structure parameters

• Formula: Ir
• Calculated formula: Ir
• SMILES: [Ir]
• Title of publication: Error Estimates for Solid-State Density-Functional Theory Predictions: An Overview by Means of the Ground-State Elemental Crystals
• Authors of publication: Lejaeghere, K.; Van Speybroeck, V.; Van Oost, G.; Cottenier, S.
• Journal of publication: Critical Reviews in Solid State and Materials Sciences
• Year of publication: 2014
• Journal volume: 39
• Journal issue: 1
• Pages of publication: 1
• a: 3.88075 Å
• b: 3.88075 Å
• c: 3.88075 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 58.445 ų
• Number of distinct elements: 1
• Space group number: 225
• Hermann-Mauguin space group symbol: F m -3 m
• Hall space group symbol: -F 4 2 3
• Method of determination: theoretical
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No