Co-expression of multi-genes for polynary perovskite electrocatalysts for reversible solid oxide cells

High-entropy LnBaCo 2 O 5+ δ perovskites are explored as rSOC air electrodes, though high configuration entropy ( S config ) alone poorly correlates with performance due to multifactorial interactions. We systematically engineer LnBaCo 2 O 5+ δ perovskites (Ln = lanthanides) with tunable S config and 20 consistent parameters, employing Bayesian-optimized symbolic regression to decode activity descriptors. The model identifies synergistic contributions from S config , ionic radius, and electronegativity, enabling screening of 177,100 compositions. Three validated oxides exhibit superior activity/durability, particularly (Pr 0.05 La 0.4 Nd 0.2 Sm 0.1 Y 0.25 )BaCo 2 O 5+ δ , showing enhanced oxygen vacancy concentration and disordered transport pathways. First-principles studies reveal optimized charge transfer kinetics via cobalt-oxygen bond modulation. Further, the interplay between first ionization energy, atomic mass, and ionic Lewis acidity dictates stability. This data-driven approach establishes a quantitative framework bridging entropy engineering and catalytic functionality in complex oxides.