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.