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Calculated pressure-volume data (average LDA and GGA results) of PtC with RS and ZB structures and with pyrite structure and experimental data. Dashed curves are the third-order Birch-Murnaghan equation fit with and (4.7, 4.6 5.3) for the RS (ZB, pyrite, exp.)
Partial DOS of (a) RuC, (b) PdC, (c) AgC, and (d) PtC with rocksalt structure.
Calculated equilibrium lattice parameters (Å), elastic constants (GPa), bulk modulus (GPa), tetragonal shear modulus (GPa), polycrystalline shear modulus (GPa), Young’s modulus (GPa), and Poisson’s ratio of four mechanically stable noble metal carbides.
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