Ions

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

[1]:

from mendeleev.ion import Ion

[2]:

fe_2 = Ion("Fe", 2)

You can access variety of properties of the ion

[3]:

fe_2.charge

[3]:

2

[4]:

fe_2.electrons

[4]:

24

[5]:

fe_2.Z

[5]:

26

[6]:

fe_2.name

[6]:

'Iron 2+ ion'

you can also print the unicode ion symbol

[7]:

fe_2.unicode_ion_symbol()

[7]:

'Fe²⁺'

Ionic radii for this ion are available under radius attribute

[8]:

fe_2.radius

[8]:

[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

[9]:

fe_2.ie

[9]:

30.651

[10]:

fe_2.ea

[10]:

16.1992

compute ionic potential

[11]:

fe_2.ionic_potential()

[11]:

0.02564102564102564