mp-8075/NaBe4SbO7/anharm

Space group: P6_3mc (186)
Link: Materials Project
Download: mp-8075.tar.gz

Harmonic properties

../../_images/fig_bandos_pr2036.png — (a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2099.png — (b) Phonon dispersion and DOS

../../_images/fig_thermo2036.png — (c) Thermodynamic properties

Grüneisen parameters

../../_images/fig_gru_all1159.png — (a) Grüneisen parameters

../../_images/fig_gruneisen1159.png — (b) Phonon dispersion with Grüneisen parameters

Thermal conductivity

Force constants

../../_images/fig_fc21857.png — (a) Force constants w.r.t atomic distance

Summary

../../_images/fig_times3140.png — (a) Computation time