In material science, accurately predicting the thermochemical properties is of utmost importance. Accurate calculation of the Gibbs free energy enables researchers to understand and predict thermodynamic stability, phase transitions, and chemical reactions in materials. Experimentally, It can be determined through methods such as calorimetry, electrochemical measurements, and phase equilibrium experiments from thermochemical properties like heat and energy of formation. However, these experimental methods can be costly, tedious, and sometimes limited by the availability of samples.