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First-principles study of transition metal carbides

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Table 1. The formation energies (E f , in meV atom –1 ) , the lattice parameters of Nb–C alloys (Å): comparison with literature.
Table 2. The formation energies (E f , measured in meV atom –1 ) , the lat- lat-tice parameters of C–Ti alloys (measured in Å), comparison with exper-imental data
Table 3. The formation energies (E f , in meV atom –1 ) , the lat- lat-tice parameters of Ti–C alloys (in Å), comparison with exper-imental and theoretical data.
Table 5 summarizes the calculated elastic constants of all carbides and reference states
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