The Gibbs energy of the perovskite was modelled by using the compound energy formalism under the assumption that Mn2+ or Mn3+ form antisite defects on the La-sub-lattice and that no antisite defects were formed. It was found that only if antisite defects were included, could the experimental data on O non-stoichiometry of cation non-stoichiometric perovskites from literature be reproduced. However, the question whether the antisite Mn assumed the valency Mn2+ or Mn3+ could not be answered using this modelling method, as both versions reproduced the defect chemistry equally well.

La1−xMn1−yO3−z Perovskites Modelled with and without Antisite Defects using the CALPHAD Approach. A.N.Grundy, B.Hallstedt, L.J.Gauckler: Solid State Ionics, 2004, 173[1-4], 17-21