Approximating density and volume of unknown amorphous structure

[Lim changmin]

Hello,

I am currently preparing to perform molecular dynamics simulations on an amorphous Ge-Se-Te structure. As a preliminary step, I plan to generate an initial amorphous configuration using Packmol. However, due to the lack of experimental data for the GeSeTe system, I am unable to determine a reliable reference density.

Is there a recommended approach to theoretically estimate the density of such a structure in the absence of experimental measurements?

Thank you in advance.

[Anders Blom]

Maybe apply an average amorphous-to-crystalline ratio for some other known materials?