“…Through the insertion of light elements into transition metals, the non-directional metallic bonding changes to highly directional covalent bonding, creating high hardness. For 4d and 5d transition metal monoborides, the experimental studies indicated that ZrB [4] and HfB [5] were synthesized in NaCl-type structure, RuB [6], OsB [7] and IrB [7] in hexagonal WC-type structure, as well as RhB and PtB in anti-NiAs-type structure [8]. In addition, the theoretical studies on WB, IrB, ReB and OsB with WC-type structure and ReB with NaCl, CsCl, WC, NiAs and antiNiAs-type structures were performed [9,10].…”