A 3-D phase diagram for an n-YSZ system was established in which the stability range of each individual phase can be predicted based on the particle size, composition, and temperature.

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The defect chemistry of La 0.8 Sr 0.2 MnO 3±δ (LSM-20) is analyzed using the La-Sr-Mn-O quaternary thermodynamic database with the compound energy formalism model by applying the CALPHAD approach. The quantitative Brouwer diagrams for LSM-20 at 1000, 1100, and 1200 • C are developed. The detailed analysis of the Mn 3+ charge disproportionation behavior and the electronic conductivity in the temperature range of 1000-1200 • C is carried out. The calculations on the electronic conductivity of LSM-20 show agreement with the experimental data in the literatures. In addition, the 3-D electronic conductivity contours are predicted in a wide range of oxygen partial pressure, temperature, and A-site deficiency.

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