Enthalpy Predictor
(Binary version)
Choose POSCAR:
Content of uploaded POSCAR:
Calculated cell volume:
Calculated formation enthalpy:
References:
Y. K. Liu, Z. R. Liu, T.F. Xu, D. Legut, X. Yin* and R. F. Zhang*. Classification enhanced machine learning model for energetic stability of binary compounds, Computational Materials Science 244, 113277 (2024).