\(\renewcommand\AA{\text{Å}}\)
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.