pymatgen.vis.structure_chemview module

Visualization for structures using chemview.

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

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