Information card for entry 1574066

Structure parameters

• Common name: O3 Sr Mn
• Formula: Mn O3 Sr
• Calculated formula: Mn0.333333 O Sr0.333333
• Title of publication: Lattice parameters and bulk modulus of SrTi1-xMnxO3 perovskites: A comparison of exchange-correlation functionals with experimental validation
• Authors of publication: Lebeda, Miroslav; Drahokoupil, Jan; Kamba, Stanislav; Svoboda, Šimon; Smola, Vojtěch; Dabrowski, Bogdan; Vlčák, Petr
• Journal of publication: Computational Condensed Matter
• Year of publication: 2025
• Journal volume: 43
• Pages of publication: e01030
• a: 3.806 Å
• b: 3.806 Å
• c: 3.806 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 55.132 ų
• Number of distinct elements: 3
• Space group number: 221
• Hermann-Mauguin space group symbol: P m -3 m
• Hall space group symbol: -P 4 2 3
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No