mp-1044157/Y4Si2Sn13Sb2O28/harm

Harmonic properties

../../_images/fig_bandos_pr17028.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21359.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo17027.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216580.png

(a) Force constants w.r.t atomic distance

Summary

../../_images/fig_times27758.png

(a) Computation time