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
- covalent_radius
atomic radius used for distance checking within crystals
- 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
- long_name
atomic name
- metallic_radius
atomic radius used for distance checking within metallic crystals
- sf
A list of scatter factors for the elements
- short_name
atomic symbol
- valence
valence value
- valence_electrons
number of valence electrons
- vdw_radius
atomic radius used for volume estimation within crystals
- z
atomic number