mp-14802/LuAu2F9/anharm

Space group: Pbcn (60)
Link: Materials Project
Download: mp-14802.tar.gz

Equation of state

../../_images/fig_bm7269.png — (a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr14533.png — (a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18888.png — (b) Phonon dispersion and DOS

../../_images/fig_thermo14533.png — (c) Thermodynamic properties

Thermal conductivity

Force constants

../../_images/fig_fc214152.png — (a) Force constants w.r.t atomic distance

Summary

../../_images/fig_times24192.png — (a) Computation time