mp-28788-2/Ba9Au2O12/anharm

Space group: Pnma (62)
Link: Materials Project
Download: mp-28788-2.tar.gz

Equation of state

../../_images/fig_bm5680.png — (a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr11631.png — (a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15638.png — (b) Phonon dispersion and DOS

../../_images/fig_thermo11631.png — (c) Thermodynamic properties

Thermal conductivity

Force constants

../../_images/fig_fc211343.png — (a) Force constants w.r.t atomic distance

Summary

../../_images/fig_times19791.png — (a) Computation time