Detailed study on Sc2C70 series has been performed based on fully screening for C70 tetra- and hexa- anions. With a combined methodology of quantum chemistry and statistical mechanics, our calculation results reveal that the Sc2C70, which was proposed as the first metal-carbide endohedral metallofullerene with a non-isolated pentagon rule (non-IPR) cage (Sc2C2@C68:6073_C2v), is in fact a C70 non-IPR metallofullerene structure (Sc2@C70:7854_C2v) with three pair of pentagon adjacency thanks to its significant thermodynamic and kinetic stability. According to the natural bond analysis and orbital interaction diagram, each scandium atom should only transfer two 4s electrons to the carbon cages and the valence state of Sc2@C70 is (Sc2+)2@C704−. In addition, the simulation of UV-Vis-NIR spectrum for Sc2@C70:7854_C2v shows good accordance to the experimental spectrum.