ABO3 perovskite lattice archetype

Alloy Theoretic Automated Toolkit (ATAT)
1

I wrote a .lat file for ABO3 perovskites. Technically the C lattice points are not restricted to oxygen, but I don’t know what else one would want to put there.
To use this file, create "perovskite.lat" under ~/atat/data, and simply copy the following code into the file:


1 1 1 90 90 90
1 0 0
0 1 0
0 0 1
0 0 0 A
0.5 0.5 0.5 B
0.5 0.5 0.0 C
0.5 0.0 0.5 C
0.0 0.5 0.5 C

Automatic generation of ABO3 perovskite lattices can now be accomplished via the ‘makelat’ command. For example:

makelat Sr,Ba:Ti:O perovskite

or

makelat Sr:Ti,Zr:O perovskite

I don’t know if anyone else needs this capability, but I needed it, so I thought I may as well make it public.