The invention belongs to the technical field of heavy metal pollution treatment for environment and discloses a heavy metal mesoporous adsorbent material with molybdenum ore tailings as raw material as well as a preparation method and an application thereof. The preparation method comprises steps as follows: an alkaline sodium compound is added after molybdenum ore tailings are subjected to acid pickling, the mixture is heated in a muffle furnace and dissolved in water, sodium metaaluminate and water glass are added to a supernatant, the mixture is uniformly mixed and transferred to a reactor to react, an obtained reaction liquid is purified after the reaction ends, and the heavy metal mesoporous adsorbent material is obtained. The mesoporous adsorbent material prepared with the method has a very good adsorption effect on heavy metals, has the removal rate of 95% or above even under the condition that the concentration of heavy metal solutions is up to 420 mg*L<-1>, is stable at adsorption, has no secondary pollution risk and can be applied to heavy metal wastewater treatment. Besides, the characteristics of the raw material, namely, molybdenum ore tailing waste, is fully utilized, waste is treated by waste while the product quality is improved, the preparation process is simple, and industrial production promotion is facilitated.