mp-28873/CsBrO3/anharm

Space group: R3m (160)
Link: Materials Project
Download: mp-28873.tar.gz

Equation of state

../../_images/fig_bm5692.png — (a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr11662.png — (a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15665.png — (b) Phonon dispersion and DOS

../../_images/fig_thermo11662.png — (c) Thermodynamic properties

Thermal conductivity

Force constants

../../_images/fig_fc211374.png — (a) Force constants w.r.t atomic distance

Summary

../../_images/fig_times19836.png — (a) Computation time