Just want to confirm that, the primitive cell structure in Materials Project is defined as Setyawan et al. (2010)? I can find in the documentation of phonon calculation that primitive cell is defined in this way, but i cannot confirm that primitive cells of all materials in MP are defined in this way. Thank you!
The primitive structure found on the materials detail page is generated using the
get_primitive_structure method of the
Structure class. The one used in phonon calculations should be the standard primitive obtained from the
get_primitive_standard_structure method of the
SpacegroupAnalayzer class. This indeed puts it into the standard defined in the paper by Setyawan and Curtarolo.