Thermodynamic description of the Cr-Mn-Si system

•Literature survey is performed in the binary and ternary systems.•Mixing enthalpies in solid solutions are calculated using DFT.•Ternary interaction parameters are assessed.•Isothermal and isopleth sections are drawn using assessed parameters.

First-principles (Density Functional Theory and SQS) calculations and the Calphad method are combined to obtain a thermodynamic description of the Cr-Mn-Si system. Especially the mixing enthalpies and the magnetic moments in solid solutions with substitutions of Cr by Mn are calculated at 0 K using the DFT for different structures. Such data are then used together with the available literature data to obtain a general description of the ternary system.

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