mp-16995-2/Sm3Si6N11/harm

Space group: P4bm (100)
Link: Materials Project
Download: mp-16995-2.tar.gz

Equation of state

../../_images/fig_bm7088.png — (a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr14151.png — (a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18545.png — (b) Phonon dispersion and DOS

../../_images/fig_thermo14151.png — (c) Thermodynamic properties

Grüneisen parameters

../../_images/fig_gru_all6010.png — (a) Grüneisen parameters

../../_images/fig_gruneisen6010.png — (b) Phonon dispersion with Grüneisen parameters

Force constants

../../_images/fig_fc213779.png — (a) Force constants w.r.t atomic distance

Summary

../../_images/fig_times23663.png — (a) Computation time