mp-557773-2/Sc2TeO6/anharm

Space group: P321 (150)
Link: Materials Project
Download: mp-557773-2.tar.gz

Equation of state

../../_images/fig_bm4188.png — (a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr8179.png — (a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11506.png — (b) Phonon dispersion and DOS

../../_images/fig_thermo8179.png — (c) Thermodynamic properties

Thermal conductivity

Force constants

../../_images/fig_fc27941.png — (a) Force constants w.r.t atomic distance

Summary

../../_images/fig_times14399.png — (a) Computation time