Slit pores on pymatgen

pymatgen
1

Hello,

I am trying yo build an illite slit pore on pymatgen. I would like to have two illite slabs separated by a distance of 20 angstroms (this will be my pore size). I was able to build a slab, but how can I replicate it on pymatgen and have this two slabs separated by a specified distance? I don’t want to have vacuum above the upper slab and vacuum below the bottom slab (just between the two slabs). I uploaded a picture of my illite slab.
I appreciate any help on this.

Thank you.
image

2

Hello Isa,

Are you working with periodic boundaries in the c-direction? If so, your cell already fulfills what you are asking for. Or in other words, you could just make your slab twice as thick and it would be equivalent to what you want.

Best,
Peter