Information card for entry 1512492

Structure parameters

• Formula: B
• Calculated formula: B
• SMILES: [B]
• 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: 5.05098 Å
• b: 5.05098 Å
• c: 5.05098 Å
• α: 58.0407°
• β: 58.0407°
• γ: 58.0407°
• Cell volume: 87.025 ų
• Number of distinct elements: 1
• Space group number: 166
• Hermann-Mauguin space group symbol: R -3 m :R
• Hall space group symbol: -P 3* 2
• Method of determination: theoretical
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No