In order to improve the Solid Oxide Fuel Cells, they are trying to find new materials to use in the process to obtain simple, cost-effective and robust outcomes. New materials are all crystalline so has a very different structure than the past ones; old ones were made polymer based like plastic based. To find the best crystal structures for the cell, they are trying to understand the structure of the materials on an atomic level. So, modeling of a crystal structure plays a vital role to understand what’s going on the atomic scale like how many atoms move through the crystal material. The next stage for the newly developed materials is trying to get them out into the automotive industry and make it the usage more common. However, the drawback of the new crystalline materials is their cost because still old combustion engine systems are more inexpensive than the crystalline ones and polymer-based ones are not serve the most efficient result due to operating power.