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The Sc-Zn system has been critically reviewed and assessed by means of  CALPHAD (CALculation of PHAse Diagram) approach. By means of first-principles  calculation, the enthalpies of formation at 0 K for the ScZn, ScZn2,  Sc17Zn58, Sc3Zn17 and ScZn12 have been computed with the desire to assist  thermodynamic modeling. A set of self-consistent thermodynamic parameters for  the Sc-Zn system is then obtained. The calculated phase diagram and  thermodynamic properties agree well with the experimental data and  first-principles calculations, respectively

Thermodynamic modeling of the Sc-Zn system coupled with first-principles calculation