An oP10–FeB4 phase [H.Gou,et al.,Phys.Rev.Lett.,2013,111,157002] was recently synthesized based on previous theoretical predictions.In this study,a high-pressure phase of FeB4(tP10–FeB4)was proposed through first-principles calculations.The tP10–FeB4 structure,which contains two formula units per unit cell,belongs to tetragonal symmetry with the space group P42/nmc.The boron atoms in tP10–FeB4 are present as tetrahedron configurations.Enthalpies as a function of pressure indicate that this new phase is probable to achieve through a phase transition from the oP10–FeB4 phase above B65.9 GPa.The softening of acoustic phonon at T points in the Brillouin zone may be the driving force behind the phase transition.Further analyses reveal that the tP10–FeB4 phase is a potential superhard semiconductor.