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To quickly screen for single-phased multi-principal-element materials, aso-called entropy forming ability (EFA) parameter is sometimes used as adescriptor. The higher the EFA, the higher is the propensity to form asingle-phase structure, which is stabilized against separation up to a certainthreshold by the configurational entropy. We have investigated this EFAdescriptor with atomic relaxations in special-quasi-random structures anddiscovered that the EFA correlates inversely with the lattice distortion. Largeatomic size differences lead to multi-phase compounds, and little sizedifferences to single-phase compounds. Instead of configurational entropy, wetherefore demonstrate the applicability of the Hume-Rothery rules to phasestability of solid solutions even in compositionally complex ceramics.

Explaining the Entropy Forming Ability with the atomic size mismatch