schrodinger.application.matsci.elementalprops module¶
Classes and functions to deal with element data.
Copyright Schrodinger, LLC. All rights reserved.
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class
schrodinger.application.matsci.elementalprops.
ElementalProperties
(symbol)¶ Bases:
object
Class that holds data of chemical elements.
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__init__
(symbol)¶ Initialize object.
Parameters: symbol (str) – Chemical symbol
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eneg
¶ Get Pauling electronegativity.
Return type: float Returns: Pauling electronegativity of self.symbol.
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cradius
¶ Get covalent radius of the element.
Return type: float Returns: Covalent radius of the element (in A)
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iradius
¶ Get ionic radius of the element.
Return type: float Returns: Ionic radius of the element (in A)
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