mp-14912-3/La4Si2Se3O7/anharm

Space group: I4_1/amd (141)
Link: Materials Project
Download: mp-14912-3.tar.gz

Equation of state

../../_images/fig_bm7279.png — (a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr14552.png — (a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18908.png — (b) Phonon dispersion and DOS

../../_images/fig_thermo14552.png — (c) Thermodynamic properties

Grüneisen parameters

../../_images/fig_gru_all6231.png — (a) Grüneisen parameters

../../_images/fig_gruneisen6231.png — (b) Phonon dispersion with Grüneisen parameters

Thermal conductivity

Force constants

../../_images/fig_fc214171.png — (a) Force constants w.r.t atomic distance

Summary

../../_images/fig_times24215.png — (a) Computation time