Hello, I am trying to simulate some materials from materials project using pymatgen and the API key I have, the simulation software is called prismatic, and I want to simulate the materials on three different zone axis (1,0,0) (1,1,0) (1,1,1), when I download the cif file (conventional standard), I get the xyz file of that by multiplying the coordinates by the corresponding cell di…

Hi, As per my understanding, the anion corrections for Sulfides was adopted from Yu et al’s work (PHYSICAL REVIEW B 92, 195118 (2015), please correct me if I’m wrong). However, the anion correction in the Materials Project (0.503 eV/S) is slightly different from the value suggested in the paper (0.477 eV/S). I’m curious if this difference comes from fitting to different (possibly …