Table 1 A list of 20 input features used in ML models for predicting HECCs phase formation ability
From: Machine learning for phase prediction of high entropy carbide ceramics from imbalanced data
Features | Abbreviations | Features | Abbreviations |
|---|---|---|---|
Average valence electron concentration | \(\overline{{VEC}}\) | Valence electron concentration difference | \({\sigma }_{{VEC}}\) |
Average Pauling electronegativity | \(\bar{{{\chi }}_{{\rm{p}}}}\) | Pauling electronegativity difference | \({\sigma }_{{{\chi }}_{\text{p}}}\) |
Average Mulliken electronegativity | \(\bar{{{\chi }}_{{\rm{m}}}}\) | Mulliken electronegativity difference | \({\sigma }_{{{\chi }}_{\text{m}}}\) |
Average density | \(\bar{\rho }\) | Density difference | \({\sigma }_{\rho }\) |
Average mass | \(\bar{m}\) | Mass difference | \({\sigma }_{m}\) |
Average lattice size | \(\bar{l}\) | Lattice size difference | \({\sigma }_{l}\) |
Average metallic radius | \(\bar{{r}_{\text{Me}}}\) | Metallic radius difference | \({\sigma }_{{r}_{\text{Me}}}\) |
Average first ionization energy | \(\bar{{I}_{1}}\) | First ionization energy difference | \({\sigma }_{{I}_{1}}\) |
Average effective nuclear charge | \(\bar{{z}^{* }}\) | Effective nuclear charge difference | \({\sigma }_{{Z}^{* }}\) |
configurational entropy | ΔSconf | Geometrical parameter | Λ |
