mp-7941/Li6TeO6/anharm

Space group: R-3 (148)
Link: Materials Project
Download: mp-7941.tar.gz

Equation of state

../../_images/fig_bm2197.png — (a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr4389.png — (a) Phonon dispersion with participation ratio and DOS

../../_images/fig_thermo4389.png — (b) Thermodynamic properties

Grüneisen parameters

../../_images/fig_gru_all1886.png — (a) Grüneisen parameters

../../_images/fig_gruneisen1886.png — (b) Phonon dispersion with Grüneisen parameters

Thermal conductivity

Force constants

../../_images/fig_fc24202.png — (a) Force constants w.r.t atomic distance

Summary

../../_images/fig_times7811.png — (a) Computation time