  MXenes are an emerging class of 2D materials of interest in applications
ranging from energy storage to electromagnetic shielding. MXenes are
synthesized by selective etching of layered bulk MAX phases into sheets of 2D
MXenes. Their chemical tunability has been significantly expanded with the
successful synthesis of double transition metal MXenes. While knowledge of the
structure and energetics of double transition metal MAX phases is critical to
designing and optimizing new MXenes, only a small subset of these materials
been explored. We present a comprehensive dataset of key properties of MAX
phases obtained using density functional theory within the generalized gradient
approximation exchange-correlation functionals. Energetics and structure of
8,712 MAX phases have been calculated and stored in a queryable, open database
hosted at nanoHUB.
