Information card for entry 1501463

Structure parameters

• Formula: Fe7 Mo6
• Calculated formula: Fe7 Mo6
• SMILES: [Mo].[Mo].[Mo].[Mo].[Mo].[Mo].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe].[Fe]
• Title of publication: Assessment of a low-cost protocol for an ab initio based prediction of the mixing enthalpy at elevated temperatures: The Fe-Mo system
• Authors of publication: Lejaeghere, Kurt; Cottenier, Stefaan; Claessens, Serge; Waroquier, Michel; Van Speybroeck, Veronique
• Journal of publication: Physical Review B
• Year of publication: 2011
• Journal volume: 83
• Journal issue: 18
• Pages of publication: 184201
• a: 4.7402 Å
• b: 4.7402 Å
• c: 26.0028 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 505.992 ų
• Number of distinct elements: 2
• Space group number: 166
• Hermann-Mauguin space group symbol: R -3 m :H
• Hall space group symbol: -R 3 2"
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No