All electronic energy calculations are performed with Density Functional Theory (DFT), implemented using the Vienna ab initio simulation package (VASP). The atomic simulation environment (ASE) is used in conjunction with VASP to develop our custom automation scripts in Python which are available at GitHub. The electron-ion interactions are treated using the projected augmented wave (PAW) method. The exchange-correlation effects are incorporated using the Perdew-Burke-Ernzerhof (PBE) functional. The Brillouin-zone integration is performed using Monkhorst pack 40 k-point grids of 15x9x1 for all the calculations.