In order to acquire the fundamental materials science information of the Neolithic jade jue in Taihu Lake basin (for example, the main minerals and hardness), and explore the evolution law of the jade raw material in pace with time and the possible sources of the jade raw materials, this paper takes the jade jues unearthed from three representative Neolithic sites-Tianluoshan, Xiantanmiao and Jiangjiashan in Zhejiang province as the research objects. These jade jues were nondestructively analyzed by X-ray diffraction (XRD) and external beam proton induced X-ray emission (PIXE). The results suggest that the jade jues analyzed were mainly made of fluorite, dickite, chalcedony, muscovite, tremolite and serpentine dated from Hemudu culture to the late Songze culture. Among them, fluorite, chalcedony and dickite accounted for a large proportion and were applied much earlier than tremolite and serpentine. Combined with the previous researches, we discuss the change of characteristics of the jade jue raw materials unearthed from the relative sites along with time, the possible sources of the jade raw materials, and the internal relation between the material science characteristics and processing technique.