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import pymatgen.core as pmg
from pymatgen.symmetry.analyzer import SpacegroupAnalyzer
import numpy as np
Al=pmg.Structure.from_spacegroup(225,pmg.Lattice.cubic(4.05),["Al"],[[0,0,0]])
finder = SpacegroupAnalyzer(Al)
mat=finder.get_conventional_to_primitive_transformation_matrix()
How to get primitive unit cell of Al using transformation matrix (mat) equivalent to Al.get_primitive_structure()
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Begineer Question
How to get primitive unit cell of Al using transformation matrix (mat) equivalent to Al.get_primitive_structure()
The above code is giving 4 atoms similar to conventional but correct cell dimension.
Thanks
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