PeriodicTableElement

class PeriodicTableElement

Base class for all the elements in the PeriodicTable.

atomicMass()

Return the atomic mass of the element. @return the atomic mass.

atomicNumber()

Return the atomic number of the element. @return the atomic number.

covalentBonds()

Return the covalent bonds of the element. @return the covalent bonds.

covalentRadius()

Return the covalent radius of the element. @return the covalent radius.

crystalType()

Return the crystal type of the element. @return the crystal type.

latticeBARatio()

Return the lattice b a ratio of the element. @return the lattice b a ratio.

latticeCARatio()

Return the lattice c a ratio of the element. @return the lattice c a ratio.

latticeConstant()

Return the lattice constant of the element. @return the lattice constant.

metal()

Return the metal of the element. @return the metal.

name()

Return the name of the element. @return the name.

rgbColor()

Return the rgb color of the element. @return the rgb color.

symbol()

Return the symbol of the element. @return the symbol.

vanDerWaalsRadius()

Return the van der waals radius of the element. @return the van der waals radius.

Usage Examples

Use the elements Hydrogen and Oxygen to set up a MoleculeConfiguration.

# Set up elements and positions
elm = [ Oxygen, Hydrogen, Hydrogen ]         
pos = [[ 0.000, 0.000, 0.0],
       [ 0.757, 0.586, 0.0],
       [-0.757, 0.586, 0.0]]*Angstrom

# Add them to a configuration
h2o = MoleculeConfiguration(elm, pos)

molecule_configuration.py

Alternatively, the shorter names H and O can also be used as in

# Set up elements and positions
elm =[PeriodicTable.O, PeriodicTable.H, PeriodicTable.H]
pos =[[ 0.000, 0.000, 0.0],
      [ 0.757, 0.586, 0.0],
      [-0.757, 0.586, 0.0]]*Angstrom

# Add them to a configuration
h2o = MoleculeConfiguration(elm, pos)

You can use the query functions to retrieve element specific properties, such as name, mass, etc.

element_name = Silicon.name()
element_mass = Silicon.atomicMass()

Periodic table

The entire set of elements from the periodic system, as well as some of their key properties are listed in Atomic data.