Iron (Fe) is a transition metal with an electron configuration of [Ar] 3d⁶ 4s². It can exist in several allotropic formations, with the most common lattice configuration being body-centered cubic (BCC) at room temperatures and face-centered cubic (FCC) at high temperatures. These BCC and FCC lattice configurations of iron are usually known as alpha iron or ferrite and gamma iron or austenite, respectively. A comparison of computationally calculated BCC iron crystal parameters against experimental values from literature is summarised in Table .