All Molybdenum-Rhenium alloy models were constructed using a body-centered cubic structure as the unit cell, and a 2 × 2 × 2 SQS supercell was built. The compositions of the supercell were Mo 1−x Re x, where x takes the values of 0.0625, 0.125, 0.1875, 0.25, 0.3125, 0.375, 0.4375, and 0.5. The positions of the rhenium atoms were …