Information card for entry 1512520

Structure parameters

• Formula: Mn
• Calculated formula: Mn
• SMILES: [Mn]
• 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: 8.63584 Å
• b: 8.63584 Å
• c: 8.63584 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 644.041 ų
• Number of distinct elements: 1
• Space group number: 217
• Hermann-Mauguin space group symbol: I -4 3 m
• Hall space group symbol: I -4 2 3
• Method of determination: theoretical
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No