mp-9720/Rb3BP2/anharm

Space group: C2/c (15)
Link: Materials Project
Download: mp-9720.tar.gz

Equation of state

../../_images/fig_bm410.png — (a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr1204.png — (a) Phonon dispersion with participation ratio and DOS

../../_images/fig_thermo1204.png — (b) Thermodynamic properties

Grüneisen parameters

../../_images/fig_gru_all749.png — (a) Grüneisen parameters

../../_images/fig_gruneisen749.png — (b) Phonon dispersion with Grüneisen parameters

Thermal conductivity

Force constants

../../_images/fig_fc21070.png — (a) Force constants w.r.t atomic distance

Summary

../../_images/fig_times1806.png — (a) Computation time