mp-9675/Cs3BP2/anharm

Space group: C2/c (15)
Link: Materials Project
Download: mp-9675.tar.gz

Equation of state

../../_images/fig_bm400.png — (a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr1187.png — (a) Phonon dispersion with participation ratio and DOS

../../_images/fig_thermo1187.png — (b) Thermodynamic properties

Grüneisen parameters

../../_images/fig_gru_all738.png — (a) Grüneisen parameters

../../_images/fig_gruneisen738.png — (b) Phonon dispersion with Grüneisen parameters

Thermal conductivity

Force constants

../../_images/fig_fc21053.png — (a) Force constants w.r.t atomic distance

Summary

../../_images/fig_times1780.png — (a) Computation time