schrodinger.application.matsci.elementalprops module

Classes and functions to deal with element data.

Copyright Schrodinger, LLC. All rights reserved.

class schrodinger.application.matsci.elementalprops.ElementalProperties(symbol)

Bases: object

Class that holds data of chemical elements.

__init__(symbol)

Initialize object.

Parameters:symbol (str) – Chemical symbol
eneg

Get Pauling electronegativity.

Return type:float
Returns:Pauling electronegativity of self.symbol.
cradius

Get covalent radius of the element.

Return type:float
Returns:Covalent radius of the element (in A)
iradius

Get ionic radius of the element.

Return type:float
Returns:Ionic radius of the element (in A)