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. 2021 Nov 26;14(23):7213. doi: 10.3390/ma14237213

Table 1.

List of input features for the surrogate prediction model.

Feature Equation for Feature Calculation
The difference in atomic radii between elements (δ) δ=ci1rir¯2, r¯=ciri
Valence electron concentration VEC VEC=ciVECi
Enthalpy of mixing (ΔHmix) ΔHmix=4ΔHijmixcicj
Difference in electronegativity between elements Δχ=ciχicjχj2
Configurational entropy ΔSmix=Rcilnci
Work function ϕ=ciϕi
Shear modulus μ=ciμi
Difference in shear modulus Δμ=2·μiμμi+μ
γ parameter γ=1rs+r¯2r¯2rs+r¯21rl+r¯2r¯2rl+r¯2
Λ parameter Λ=ΔSmixδ2
Ω parameter Ω=TmΔSmixΔHmixTm=ciTi