Ions

You can use the Ion class to work with ions instead of elements. Ions can be created from elements and charge information.

from mendeleev.ion import Ion

fe_2 = Ion("Fe", 2)

You can access variety of properties of the ion

fe_2.charge

2

fe_2.electrons

24

fe_2.Z

26

fe_2.name

'Iron 2+ ion'

you can also print the unicode ion symbol

fe_2.unicode_ion_symbol()

'Fe²⁺'

Ionic radii for this ion are available under radius attribute

fe_2.radius

[<IonicRadius(atomic_number=26, charge=2, coordination='IV', crystal_radius=77.0, econf='3d6', id=149, ionic_radius=63.0, most_reliable=False, origin='', spin='HS')>,
 <IonicRadius(atomic_number=26, charge=2, coordination='IVSQ', crystal_radius=78.0, econf='3d6', id=150, ionic_radius=64.0, most_reliable=False, origin='', spin='HS')>,
 <IonicRadius(atomic_number=26, charge=2, coordination='VI', crystal_radius=75.0, econf='3d6', id=151, ionic_radius=61.0, most_reliable=False, origin='estimated, ', spin='LS')>,
 <IonicRadius(atomic_number=26, charge=2, coordination='VI', crystal_radius=92.0, econf='3d6', id=152, ionic_radius=78.0, most_reliable=True, origin='from r^3 vs V plots, ', spin='HS')>,
 <IonicRadius(atomic_number=26, charge=2, coordination='VIII', crystal_radius=106.0, econf='3d6', id=153, ionic_radius=92.0, most_reliable=False, origin='calculated, ', spin='HS')>]

Appropriate value of ionization energy and electron affinity are available under ie and ea attributes

fe_2.ie

30.651

fe_2.ea

16.19921

compute ionic potential

fe_2.ionic_potential()

0.02564102564102564