How can I access the Fermi energy of a series of crystals?

Materials Project
1

for example, I want to get all Fermi energy of all Ca, Na and Li oxides with bandstructure, what properties should I query? It’s a ‘doc’, and I’ll get it from the efermi in the doc.

“criteria”: "{‘elements’:{’$in’:[‘Ca’, ‘Na’, ‘Li’,], ‘$all’: [‘O’]}, ‘has_bandstructure: True’, “properties”: “???”}

2

Hi @Eden_E,

The key is “efermi”, see a list of tags you can query here.

Note that the fermi level is relative to the calculation itself and not absolutely defined. If you’re interested in this information, I would advise pulling down the full band structure and examining it yourself.

Best,

Matt