mp-9254/Al2Te5/anharm

Space group: C2/m (12)
Link: Materials Project
Download: mp-9254.tar.gz

Equation of state

../../_images/fig_bm502.png — (a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr1406.png — (a) Phonon dispersion with participation ratio and DOS

../../_images/fig_thermo1406.png — (b) Thermodynamic properties

Grüneisen parameters

../../_images/fig_gru_all865.png — (a) Grüneisen parameters

../../_images/fig_gruneisen865.png — (b) Phonon dispersion with Grüneisen parameters

Thermal conductivity

Force constants

../../_images/fig_fc21259.png — (a) Force constants w.r.t atomic distance

Summary

../../_images/fig_times2117.png — (a) Computation time