Phase stability and thermodynamic modeling of the Re-Ti system supplemented by first-principles calculations

► The Re-Ti system was modeling using the CALPHAD technique. ► First-principles calculations supplemented missing experimental thermochemical data. ► Finite temperature thermodynamic were predicted for chi phase, Re24Ti5. ► ReTi compound was investigated using the phonon supercell approach. ► The modeled phase diagram without ReTi agrees well with experimental data.