ap_number_from_spacegroup

Full name: ase2sprkkr.physics.lattice_data.ap_number_from_spacegroup

ase2sprkkr.physics.lattice_data.ap_number_from_spacegroup(spacegroup_number, hall_number=None, cell=None)

Return the Xband A. Perlov number for a space-group setting.

The trigonal space groups 143, 144, 145, and 147 need the cell shape to distinguish hP and hR settings. Other ambiguous groups are resolved by Hall number when it is available, otherwise the international-number fallback is used.

Parameters:

• spacegroup_number (int)

• hall_number (int | None)

Return type:

int