Abstract. Molecular dynamics simulation is used to study the structures of fullerite of various composition as well as their mechanical properties. Fullerites based on fullerene C 60 with simple cubic and face-centered packing, fullerene-like molecule C 48 and fullerene C 240 with simple cubic packing are studied. Compliance and stiffness coefficients are calculated for fullerites C 60 and C 48 . For fullerite C 240 , C 60 , and C 48 , deformation behavior under the effect of hydrostatic compression is also investigated. It is shown that the fullerenes in the fullerite remain almost spherical up to high values of compressive strain, as a result of which the fullerite is an elastic medium up to densities of 2.5 g/cm 3 . The increasing stiffness and strength under an applied compression is found for all the considered fullerites.