composition

property Structure.composition: Dict[str, int]

Return the composition of the structure as a dictionary.

Returns:

Dict[str, int] – A mapping where keys are the unique atomic species in self.atoms and values are their counts.

Examples

>>> self.atoms = ['Ba', 'Ba', 'Cu', 'Cu', 'Cu', 'O', 'O']
>>> self.composition
{'Ba': 2, 'Cu': 3, 'O': 2}