Dear Abinit users!
with our modest career in the study of materials (mol %) 75ZrO2 + 12.5CeO2 + 12.5Al2O3, we need your help to simulate this type of material within the framework of any code. In particular, we do not understand which cell to select and how to arrange the atoms there.
Best wishes,
Dr. Maxim Arsent'ev
Laboratory of inorganic synthesis
Institute of Silicate Chemistry of RAS
simulation of 75ZrO2+12.5CeO2+12.5Al2O3 material
Moderator: bguster