First-principles determination of the enthalpy of formation of Mn–Si phases

After a careful survey of the literature, the enthalpies of formation of Mn3Si, Mn5Si2, Mn5Si3, MnSi and Mn4Si7 have been calculated at 0 K using the density functional theory. The calculated physical properties are compared to previous calculations and experiments. The enthalpies of formation of the phases are finally discussed.