schrodinger.application.matsci.elementalprops module¶

Classes and functions to deal with element data.

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)