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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 more information, see https://materialsproject.org/docs/calculations
Hf2ReAl crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Hf2ReAl ribbons oriented in the (1, 0, 0) direction. Hf is bonded in a linear geometry to one Re and one Al atom. The Hf–Re bond length is 2.33 Å. The Hf–Al bond length is 2.82 Å. Re is bonded in a linear geometry to two equivalent Hf atoms. Al is bonded in a linear geometry to two equivalent Hf atoms.