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In the present study, the ground state properties of chromium carbides (h-CrC, c-CrC, Cr 3 C, Cr 3 C 2 , Cr 7 C 3 , and Cr 23 C 6 ) are calculated by means of the first-principles pseudopotential method using the CASTEP code. The equilibrium crystal structures and thermodynamical stability of the six chromium carbide phases are discussed. Moreover,...
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