Thermodynamic assessment of the Sr–In and Sr–Bi systems supported by first-principles calculations

• Sr–In and Sr–Bi have been critically reviewed and modeled by CALPHAD technique.
• First-principles calculations were use for the enthalpies of formation of compounds.
• A set of thermodynamic parameters was obtained for each of the two binary systems.

Based on the available experimental phase equilibria and thermodynamic data, the Sr–In and Sr–Bi systems have been assessed by means of the CALPHAD technique. The solution phases (Liquid, (αSr), (βSr), (In) and (Bi)) were modeled with the Redlich–Kister polynomial. All the intermetallic compounds (SrIn5, SrIn3, Sr2In5, SrIn2, Sr2In3, SrIn, Sr5In3, Sr3In, SrBi3, Sr11Bi10, αSr5Bi3, βSr5Bi3 and Sr2Bi) were treated as stoichiometric compounds. The enthalpies of formation at 0 K for SrIn5, SrIn3, SrIn2, SrIn, Sr5In3, Sr3In, SrBi3, αSr5Bi3, βSr5Bi3 and Sr2Bi were computed by first-principles calculations in order to assist the thermodynamic modeling. A set of self-consistent thermodynamic parameters for each of the two systems has been obtained, and the present calculations can satisfactorily reproduce the available experimental data.