pymatgen.core.ion module¶
Module containing class to create an ion
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class
Ion
(composition, charge=0.0, properties=None)[source]¶ Bases:
pymatgen.core.composition.Composition
,monty.json.MSONable
,pymatgen.util.string.Stringify
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
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property
alphabetical_formula
¶ Returns a reduced formula string with appended charge
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property
anonymized_formula
¶ An anonymized formula. Appends charge to the end of anonymized composition
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property
charge
¶ Charge of the ion
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property
composition
¶ Composition of ion.
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property
formula
¶ Returns a formula string, with elements sorted by electronegativity, e.g., Li4 Fe4 P4 O16.
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classmethod
from_dict
(d)[source]¶ Generates an ion object from a dict created by as_dict().
- Parameters
d – {symbol: amount} dict.
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classmethod
from_formula
(formula: str) → pymatgen.core.ion.Ion[source]¶ Creates Ion from formula.
- Parameters
formula –
- Returns
Ion
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property
reduced_formula
¶ Returns a reduced formula string with appended charge.
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property
to_reduced_dict
¶ Returns: dict with element symbol and reduced amount e.g., {“Fe”: 2.0, “O”:3.0}.
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property