Hello, my name is James and I am an undergraduate researcher working with perovskites. Currently, I am trying to recreate a very specific phase of (BA)4AgBiBr8 from a Nature Communications article linked here. I am using the perovskite generation tool pyrovskite to generate (BA)4AgBiBr8 (A 2DDPK in the RP phase), but to prove the generation is correct I need to recreate the precise phase/”slice” of the perovskite used within the paper, primarily using Vesta. Does anyone have any advice or tips on how I can manipulate my generation within Vesta to mirror the paper’s? I am a new user here and cannot upload the files, but a google drive folder with them is linked here. I really appreciate any help!
Please note that the temperature/distortion differences can ignored, I am just hoping to contain the same molecules in the “same” relative locations.