Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For
Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For
Hg2CdTl crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Hg2CdTl ribbons oriented in the (0, 1, 0) direction. Hg is bonded in a linear geometry t