How can I use pymatgen to get the same high symmetry points in Matertials Project?

I am currently looking to get a band structure using Quantum Espresso.

So I want to set up by myself the same kpoints as the band diagram in the “Electronic Srtucture” of the Materials Project.

However, when I try to get the kpath using “KPathLatimerMunro” in pymatgen, it does not match.

mp-5229: SrTiO3 (Cubic, Pm-3m, 221) (
[Γ → X → M → Γ → R → X|M → R] in “Electronic Structure”

struct = Structure.from_file(struct_file_path)
path = KPathLatimerMunro(struct)

-> [['d', 'g', 'Γ', 'd', 'a', 'g'], ['a', 'Γ']]

How can I use pymatgen to get the same high symmetry points as the band structure in Matertials Project?

Sorry for the rudimentary question, but please help me.
Thank you for your time!


There are different methods implemented: ‘setyawan_curtarolo’, ‘hinuma’,
‘latimer_munro’ for the Setyawan & Curtarolo, Hinuma et al., and
Latimer & Munro conventions, respectively.

You can find them all in


The one used in the MP website is setyawan_curtarolo.

Hope this helps


Hi, fraricci.
Thank you for your quick and thorough response!

Thanks to your advice I was able to get the expected output.

I leave the sample code for those who have the same questions I do.

struct = Structure.from_file(struct_file_path)
path = KPathSetyawanCurtarolo(struct)

Best regards,