Information card for entry 1512529

Structure parameters

• Formula: P
• Calculated formula: P
• SMILES: [P]
• 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: 3.30466 Å
• b: 11.31693 Å
• c: 4.57327 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 171.034 ų
• Number of distinct elements: 1
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c a
• Hall space group symbol: -C 2ac 2
• Method of determination: theoretical
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No