Hello
I use MPRester to get graphite coordinates:
from pymatgen import MPRester
mpr = MPRester()
with MPRester() as mpr:
struct = mpr.get_structure_by_material_id("mp-48")
but the axis is along the zig-zag edge
If I rotate the sites it doesnt work
struct.rotate_sites(np.arange(0,2,1),np.deg2rad(-30),[0,0,1],[0,0,0],to_unit_cell=False)
Is there a way to get axes to go along the armchair edge?