Table 3 The expression results derived by the SR module with descriptor complexity of 1 for all target properties in the AB(O∣X)3 dataset
Property | Derived expression |
|---|---|
Formation Energy | \(\hat{Y}={\rm{0}}{\rm{.97}}{E}_{p}+{\rm{0}}{\rm{.016}}{B}_{ie1}+0.028{B}_{ea}-{\rm{0}}{\rm{.23}}\) |
Bandgap (OPT) | \(\hat{Y}={\rm{1}}{\rm{.06}}{E}_{p}+0.20{X}_{Q}-{\rm{0}}{\rm{.13}}{G}_{dis}+{\rm{0}}{\rm{.26}}\) |
Total Energy | \(\hat{Y}={\rm{0}}{\rm{.94}}{E}_{p}+0.15{X}_{Q}+0.048{B}_{ie1}-0.36\) |
Ehull | \(\hat{Y}={\rm{0}}{\rm{.92}}{E}_{p}-0.025{G}_{dis}+0.013{B}_{ea}-0.023\) |
Bulk Modulus Kv | \(\hat{Y}={\rm{0}}{\rm{.88}}{E}_{p}-11.68{X}_{Q}-5.13{G}_{dis}-8.79\) |
Shear Modulus Gv | \(\hat{Y}={\rm{1}}{\rm{.00}}{E}_{p}+1.61{X}_{Q}+4.37{G}_{dis}+6.78\) |
ϵx | \(\hat{Y}={\rm{0}}{\rm{.99}}{E}_{p}+2.68{X}_{Q}-7.50{G}_{dis}-4.48\) |
ϵy | \(\hat{Y}={\rm{1}}{\rm{.24}}{E}_{p}+5.02{X}_{Q}-8.20{G}_{dis}-3.44\) |
ϵz | \(\hat{Y}=1.04{E}_{p}-14.03{B}_{ir}-16.79{G}_{dis}-5.05\) |
