\(\renewcommand\AA{\text{Å}}\)
Crystal structure¶
periodictable.crystal_structure
¶
Crystal structure data.
Adds crystal_structure to the periodic table. Each crystal structure is a dictionary which contains the key ‘symmetry’. Depending on the value of crystal_structure[‘symmetry’], one or more parameters ‘a’, ‘c/a’, ‘b/a’, ‘d’, and ‘alpha’ may be present according to the following table:
Symmetry |
Parameters |
---|---|
atom |
|
diatom |
d |
BCC |
a |
fcc |
a |
hcp |
c/a, a |
Tetragonal |
c/a, a |
Cubic |
a |
Diamond |
a |
Orthorhombic |
c/a, a, b/a |
Rhombohedral |
a, alpha |
SC |
a |
Monoclinic |
Example:
>>> import periodictable as elements
>>> print(elements.C.crystal_structure['symmetry'])
Diamond
>>> print(elements.C.crystal_structure['a'])
3.57
This data is from Ashcroft and Mermin.
- periodictable.crystal_structure.init(table, reload=False)¶
Add crystal_structure field to the element properties.