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The structure, mechanical property and electronic structure of IrY alloy are investigated using the first-principles. The calculated equilibrium lattice parameter of the IrY is in good agreement with the experimental value. The calculated cohesive energy and enthalpies of formation is negative value, implies that the structure is stable at ground state. The electronic structure show that hybridization exist between Ir(5d 7 6s 2 ) state and Y(4s 2 4p 6 4d 1 5s 2 ) state and the form metallicdoi:10.1016/j.proeng.2012.01.1083 fatcat:xhf6z5kltrbmbh6eicmjbdpbpa