Abstract We present the thermodynamic properties of ZrC (1− x ) N ceramics at elevated temperature (0–1,000 K) and pressure (0–150 GPa) conditions, explored by density functional theory. implemented Debye–Grüneisen quasi-harmonic model in our calculations. In investigation, we cover elastic constants, moduli, compressibility, ductility/brittleness, hardness, sound velocities, minimum thermal co...