3D Phase diagram

[Jeff-oakley]

Can we use beautiful-atoms to visualize the 3D composition/grand canonical phase diagrams in Materials Project?
One example of compositional phase diagram is:

One example of grand canonical phase diagram is:

I can help breaking the phase diagram into coordinates if needed.

[superstar54]

@Jeff-oakley Thanks for reporting this. Yes, it is possible to draw the 3D phase diagram inside Blender.

For the compositional phase diagram, only the compositions and energies are needed. We can calculate the energy convex Hull, thus getting the vertices and plane index. It is then straightforward to draw the line and plane.

For the canonical phase diagram, do you have an idea of what algorithm to calculate the plane? What are the input data? It would be helpful if you could give some knowledge on that.

The difficult part would be the axis, legends and colorbar. Blender does not provide a built-in method to auto-draw these. Since they do not belong to the 3D object and do not rotate with the scene, they have to be drawn separately with some low-level function.

For the implementation, we could either add this feature to the beautiful-atoms or create a separate addon for the phase diagram.