mp-569978/Na2Ti3Cl8/harm

Space group: R3m (160)
Link: Materials Project
Download: mp-569978.tar.gz

Equation of state

../../_images/fig_bm3761.png — (a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr7079.png — (a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10055.png — (b) Phonon dispersion and DOS

../../_images/fig_thermo7079.png — (c) Thermodynamic properties

Grüneisen parameters

../../_images/fig_gru_all2953.png — (a) Grüneisen parameters

../../_images/fig_gruneisen2953.png — (b) Phonon dispersion with Grüneisen parameters

Force constants

../../_images/fig_fc26855.png — (a) Force constants w.r.t atomic distance

Summary

../../_images/fig_times12631.png — (a) Computation time