Heats of formation of Zirconium binary transition metal alloys

D-band model is used to predict enthalpies of formation of binary transition metal alloys. One of the input parameters of the model namely bandwidth is optimized by refinement procedures based on ab initio calculations and reliable calometric data for Zr-, Hf- and Ti-compounds. Revised values of enthalpies of formation for Zr-binary transition metal compounds using new values of bandwidth are substantially improved. This improvement can be applied for other problematic cases in order to ameliorate results of calculated by d-band model.