Crystal structure construction

1. The MultiShifter software package is a suite of command line tools to manipulate and create crystal structures for slab model calculations.

 

Materials Modeling interfaces

https://pysimm.org/

 

Crystal structure analysis 

1. ISODISTORT is a user-friendly internet-based tool for exploring the structural distortion modes of crystalline materials induced by irreducible representations of the parent space-group symmetry.