mp-14168/K2GeF6/harm

Space group: P6_3mc (186)
Link: Materials Project
Download: mp-14168.tar.gz

Equation of state

../../_images/fig_bm7354.png — (a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr14714.png — (a) Phonon dispersion with participation ratio and DOS

../../_images/fig_thermo14714.png — (b) Thermodynamic properties

Grüneisen parameters

../../_images/fig_gru_all6303.png — (a) Grüneisen parameters

../../_images/fig_gruneisen6303.png — (b) Phonon dispersion with Grüneisen parameters

Force constants

../../_images/fig_fc214332.png — (a) Force constants w.r.t atomic distance

Summary

../../_images/fig_times24454.png — (a) Computation time