Theoretical hardness calculated from crystallo-chemical data for MoS₂ and WS₂ crystals and nanostructures

A theoretical hardness model based on crystallo-chemical data has permitted the separate calculation of H_min (derived from weak bonds acting along the c axis), as well as H_max [derived from strong bonds acting within the (0001) plane] in the space group P6₃/mmc anisodesmic compounds. Experimental hardness has confirmed the calculated H_min.