Spinel Structure Visualization


In reference to mp-24868 but other spinels as well, are the structure visualizations correct?

When I use the cif file from MP to visualize in VESTA and make a 2x2x2 supercell it appears to be a cube. The visualization on MP does not appear to be the same. What’s causing the difference?


Hi @TP2019

Yes, This is a known problem with JSMol, which is the viewer we use. It’s really designed for molecules and not inorganic crystalline materials, so it uses its own symmetrization, bonding, polyhedra definitions etc. VESTA is fully customizable, so I’d recommend you use that for your images, especially since the bond-lengths, for instance, can be changed.

We’re working on our own viewer that will respect all the settings in MP and present much better bonding, but that is still in development.