5.6. data

Atomic data collections.

Data

eminus.data.SYMBOL2NUMBER

Map atom symbols and atom numbers.

eminus.data.NUMBER2SYMBOL

Map atom numbers and atom symbols.

eminus.data.COVALENT_RADII

Covalent radii per atom. Reference: Dalton Trans., 2832.

eminus.data.CPK_COLORS

CPK colors per atom. Reference: https://gitlab.com/ase/ase/-/blob/master/ase/data/colors.py

eminus.data.SPECIAL_POINTS

Special points in Brillouin zones of different crystal systems. Reference: Comput. Mater. Sci. 49, 299.

eminus.data.LATTICE_VECTORS

Primitive lattice vectors of different crystal systems. Reference: Comput. Mater. Sci. 49, 299.