Herein, FeMoO4 nanorods are explored as an efficient electrocatalyst for nitrogen reduction reaction (NRR) in 0.1 M Na2SO4 solution, with an NH3 yield rate of 17.51 μg h-1 mg-1 and a high faradaic efficiency (FE) of 10.53%. Density functional theory (DFT) calculations reveal that surface Fe atoms are the active centers for NRR via an alternating mechanism.