mp-9723/Sr4LiB3N6/anharm

Space group: Im-3m (229)
Link: Materials Project
Download: mp-9723.tar.gz

Harmonic properties

../../_images/fig_bandos_pr1208.png — (a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1118.png — (b) Phonon dispersion and DOS

../../_images/fig_thermo1208.png — (c) Thermodynamic properties

Grüneisen parameters

../../_images/fig_gru_all753.png — (a) Grüneisen parameters

../../_images/fig_gruneisen753.png — (b) Phonon dispersion with Grüneisen parameters

Thermal conductivity

Force constants

../../_images/fig_fc21074.png — (a) Force constants w.r.t atomic distance

Summary

../../_images/fig_times1810.png — (a) Computation time