A python implementation of Crystal structures based on pymatgen which supports:
- importing crystal structures via .cif
- representation of Lattice Parameters and Crystal Base as easily accessible Pythonic objects
- Saving crystal structures as .json files
- Scaling the dimensions of a structure
- Determining an estimate of atomic volume in unit cell
- Standardizing the Lattice parameter ordering and ordering of atoms within the unit cell
- Finding scattering parameters of atoms in the crystal
- Representing partially labeled crystal structures with unknown data points
The library can be installed using pip
pip install CrystalStructure