Issues with Phase Diagrams

Is anyone else having issues with ternary phase diagrams? Aspect ratios are off, colour facet slider doesn’t work and the finite temperature estimation works only with the R2SCAN functional?

@Matt_O Could you describe your specific issues in more detail? I unfortunately can’t reproduce them. Thanks!

Hi @tschaume,

When opening Materials Project - Phase Diagram, and selecting, for example, a Li–Ni–O ternary diagram the following behaviour occurs, which it did not before:

  • Default setting for the colour slide is on. When first generating the desired 2D diagram, it instead shows the convex hull shading, in green. Switching the colour facet slider to off, sometimes reverts the diagram back to the usual (coloured) diagram. Removing colour altogether no longer seems possible. This also, does not always work, and while writing this, the colour slider does nothing.

  • When using the GGA/GGA+U functional, switching the finite temperature estimation instead generates a plot of formation energy vs composition, using what appears to be nitrogen, instead of nickel. The same happens for the GGA/GGA+U/R2SCAN option. Only the R2SCAN alone works. The same thing happens when attempting to plot a chemical potential diagram.

  • In all cases, the diagrams generate slightly zoomed in, such that the element labels are almost always cut off.

All this behaviour, at least for me, is observed on both Windows and Mac, on Edge, Chrome and Safari.

hi @Matt_O , thanks so much for the details, I can confirm these issues. We’re looking into this and will update the post when we have the fix.

Hi @Matt_O The issues you mentioned have been fixed. Please let us know if you have other suggestions!