In the final results tab with the structure, add a table with coordinates

[edan-bainglass]

• This should appear both in the "Relaxed structure" and in the "Initial structure" if there was no relaxation
• The table should have the following columns:
  • Atom index (1-based as this is done everywhere)
  • Chemical symbol
  • Tag [for the previous and this one, discuss with @AndresOrtegaGuerrero to be consistent with how this is done and shown in the input]
  • 3 columns with x, y, z coordinates (angstrom), with 2 digits after the comma
• (Ideally) If a table row is clicked, the corresponding atom is visualized

Moreover, in the same tab, add some information about the periodicity (e.g. at the very top before the visualizer, or somewhere else appropriate). E.g. "Structure periodicity: xyz", using the same string (xyz or other) that was used in the rest of the app (check with @AndresOrtegaGuerrero as this is being changed)

[AndresOrtegaGuerrero]

Moreover, in the same tab, add some information about the periodicity (e.g. at the very top before the visualizer, or somewhere else appropriate). E.g. "Structure periodicity: xyz", using the same string (xyz or other) that was used in the rest of the app (check with @AndresOrtegaGuerrero as this is being changed)

If the structure widget already displays periodicity information in the cell tab:

Instead of adding a separate widget to represent cell information, we can simply initialize the structure widget to display the cell by default.

[AndresOrtegaGuerrero]

(Ideally) If a table row is clicked, the corresponding atom is visualized

(I think) To achieve this, the AiiDAlab-widget base Structure visualizer widget should be replaced with the WEAS widget. The implementation could then follow the approach used by @superstar54 (Or can this be done without WEAS ? ) in the HP plugin.

[edan-bainglass]

FYI, @giovannipizzi opened this proposal on the project page. I just transferred it hear, hence my account 😅 Best Giovanni comment on the above suggestions.