The volatile solvent crystallization of 3-nitro-1, 2, 4-triazol-5-one (NTO) on glass substrate was studied. The observed phenomena verify that the crystal morphologies change from fractal to cube-shaped structure due to the initial concentration increasing,and it can be explained with diffusion limited aggregation (DLA) theory. Besides,the fractal and cube-shaped structure NTOs were characterized by FTIR, XRD. The results show that crystal morphology change can not result in crystal structure transformation, and only its growth-oriented change.