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: future.types.newobject.newobject

Class that holds data of chemical elements.

cradius

Get covalent radius of the element.

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

eneg

Get Pauling electronegativity.

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

iradius

Get ionic radius of the element.

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