diff --git a/notebooks/demonstration-pymatgen-for-optimade-queries.ipynb b/notebooks/demonstration-pymatgen-for-optimade-queries.ipynb index b551a5d..7165428 100644 --- a/notebooks/demonstration-pymatgen-for-optimade-queries.ipynb +++ b/notebooks/demonstration-pymatgen-for-optimade-queries.ipynb @@ -464,7 +464,7 @@ " \"provider\": provider,\n", " \"identifier\": identifier,\n", " \"formula\": structure.composition.reduced_formula,\n", - " \"spacegroup\": structure.get_space_group_info()[0],\n", + " \"spacegroup\": structure.get_space_group_info(angle_tolerance=5.0))[0],\n", " \"a_lattice_param\": structure.lattice.a,\n", " \"volume\": structure.volume,\n", " })\n",