mp-556291-2/Ba3Sn2S7/anharm

Space group: P2_1/c (14)
Link: Materials Project
Download: mp-556291-2.tar.gz

Equation of state

../../_images/fig_bm4305.png — (a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr8495.png — (a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11934.png — (b) Phonon dispersion and DOS

../../_images/fig_thermo8495.png — (c) Thermodynamic properties

Thermal conductivity

Force constants

../../_images/fig_fc28257.png — (a) Force constants w.r.t atomic distance

Summary

../../_images/fig_times14906.png — (a) Computation time