pyxtal.database.element module

Module for handling atomic elements.

class pyxtal.database.element.Element(input_value)[source]

Bases: object

Class for storing and accessing atomic elements.

Parameters:: input_value – The atomic number, symbol, or name of the element

all_covalent_radii()[source]

all_long_names()[source]

all_masses()[source]

all_metallic_radii()[source]

all_short_names()[source]

all_valence_electrons()[source]

all_valences()[source]

all_vdw_radii()[source]

all_z()[source]

elements_list: A list of atomic numbers, symbols, names, and other information, up to atomic number 105

get_all(pos)[source]

Return all [pos] elements in the full element list

Parameters:: pos – the index of the elements to retrieve
Returns:: a list containing only the [pos] elements of self.elements_list

get_sf()[source]

number_from_specie()[source]

sf: A list of scatter factors for the elements