What are the materials in this figure?


#1

Dear scientists,

I want to find out the materials with close computed (at the LDA/PBE level) and Expt. bandgaps. Interestingly, I found this figure (Figure 2 at https://materialsproject.org/wiki/index.php/Calculations_Manual). There are several materials seem match. However, I can not relate the data to the specific materials.

Could anyone tell me how can I do? Thanks a lot


#2

Hi 11117,

I’m not sure if there’s a way to precisely replicate that figure with the current database, but this example with one of our new codes may be of interest. We’ll look into updating the documentation with a more current figure.


#3

Thanks a lot. I will try.