mp-643004/SrMg2FeH8/anharm

Space group: P-3m1 (164)
Link: Materials Project
Download: mp-643004.tar.gz

Harmonic properties

../../_images/fig_bandos_pr5457.png — (a) Phonon dispersion with participation ratio and DOS

../../_images/fig_thermo5457.png — (b) Thermodynamic properties

Grüneisen parameters

../../_images/fig_gru_all2269.png — (a) Grüneisen parameters

../../_images/fig_gruneisen2269.png — (b) Phonon dispersion with Grüneisen parameters

Thermal conductivity

Force constants

../../_images/fig_fc25262.png — (a) Force constants w.r.t atomic distance

Summary

../../_images/fig_times9878.png — (a) Computation time