Vickers hardness (H V ) was predicted using two contemporary theoretical models of hardness i.e. the thermodynamic model and Lyakhov-Oganov model . The thermodynamic model is based on crystal structure and thermodynamic properties, while Lyakhov-Oganov approach considers the strength of covalent bonding, degree of ionicity and topology of the crystal structure. Mazhnik-Oganov model was used for estimation of fracture toughness (K Ic ).