Abstract
Based on the successful applications of lattice inversion method in many fields, the crystal structure and phase stability of Cr 23C 6 and Mn 23C 6 are investigated using the interatomic potentials obtained by lattice inversion method in this research. The calculated atomic coordinates and crystal parameters are in good agreement with the experimental results and the phase stability of Cr 23C 6 and Mn 23C 6 are tested by random atom shifts and global deformations. The calculated energy also indicates that the Cr 23C 6 is more stable than Mn 23C 6.
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