\(\renewcommand\AA{\text{Å}}\)
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.
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periodictable.crystal_structure.init(table, reload=False)¶ Add crystal_structure field to the element properties.