pymatgen.vis.structure_chemview module

quick_view(structure, bonds=True, conventional=False, transform=None, show_box=True, bond_tol=0.2, stick_radius=0.1)[source]

A function to visualize pymatgen Structure objects in jupyter notebook using chemview package.

Parameters:
  • structure – pymatgen Structure
  • bonds – (bool) visualize bonds. Bonds are found by comparing distances to added covalent radii of pairs. Defaults to True.
  • conventional – (bool) use conventional cell. Defaults to False.
  • transform – (list) can be used to make supercells with pymatgen.Structure.make_supercell method
  • show_box – (bool) unit cell is shown. Defaults to True.
  • bond_tol – (float) used if bonds=True. Sets the extra distance tolerance when finding bonds.
  • stick_radius – (float) radius of bonds.
Returns:

A chemview.MolecularViewer object