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)
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.