Structural, elastic, electronic, and thermodynamic properties of MgAgSb investigated by density functional theory
Wang Jun-Fei1, Fu Xiao-Nan1, Zhang Xiao-Dong1, 2, †, , Wang Jun-Tao1, Li Xiao-Dong1, Jiang Zhen-Yi2
       

(a) The calculated thermodynamic properties in the temperature range 0 K–1000 K: vibrational Helmholtz free energy (red curves), vibrational entropy (blue curves), and specific heat at constant volume Cv (gree curves). (b) The calculated thermal expansion (α) of high temperature in a temperature range of 0 K–800 K.