pymatgen.core.ion module

Module containing class to create an ion

class Ion(composition, charge=0.0, properties=None)[source]

Bases: pymatgen.core.composition.Composition, monty.json.MSONable

Basic ion object. It is just a Composition object with an additional variable to store charge. The net charge can either be represented as Mn++, or Mn+2, or Mn[2+]. Note the order of the sign and magnitude in each representation.

Flexible Ion construction, similar to Composition. For more information, please see pymatgen.core.Composition

property alphabetical_formula

Returns a reduced formula string with appended charge

property anonymized_formula

An anonymized formula. Appends charge to the end of anonymized composition


dict with composition, as well as charge

property charge

Charge of the ion

property composition

Composition of ion.

property formula

Returns a formula string, with elements sorted by electronegativity, e.g., Li4 Fe4 P4 O16.

classmethod from_dict(d)[source]

Generates an ion object from a dict created by as_dict().


d – {symbol: amount} dict.

classmethod from_formula(formula: str) → pymatgen.core.ion.Ion[source]

Creates Ion from formula.





property reduced_formula

Returns a reduced formula string with appended charge.

property to_reduced_dict

Returns: dict with element symbol and reduced amount e.g., {“Fe”: 2.0, “O”:3.0}.