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