Question from a beginner - check all materials

Hi Fred,

Any material can be referenced by any of the ids of the computational tasks associated with it. In the case of our stable cubic LuPt3 compound, we have performed a structure optimization task to obtain a relaxed structure, and the task id for this calculation is mp-790.

We customarily use the id of the lowest-energy structure optimization run as the “canonical” id for the material. For this material, the task id for the band structure (line-mode) calculation is mp-994897 (task detail page at https://materialsproject.org/tasks/mp-790#mp-994897). When you navigate to https://materialsproject.org/materials/mp-994897, you should see that the ID at the top of the page for the material is in fact mp-790, as that is the canonical ID for the material.

If you obtain an mp-id and use it to refer to a material, that ID will always “resolve” to that material, even if advances in our calculation methods result in a new task ID being assigned as canonical for a material. I hope this helps.

Best,
Donny
MP team

1 Like