mp-542302-2/CuBi3PbS6/harm

Space group: Pmc2_1 (26)
Link: Materials Project
Download: mp-542302-2.tar.gz

Equation of state

../../_images/fig_bm4674.png — (a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr9307.png — (a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13047.png — (b) Phonon dispersion and DOS

../../_images/fig_thermo9307.png — (c) Thermodynamic properties

Grüneisen parameters

../../_images/fig_gru_all3711.png — (a) Grüneisen parameters

../../_images/fig_gruneisen3711.png — (b) Phonon dispersion with Grüneisen parameters

Force constants

../../_images/fig_fc29069.png — (a) Force constants w.r.t atomic distance

Summary

../../_images/fig_times16218.png — (a) Computation time