DFT calculations were performed to verify the discovered novel crystalline materials. We chose 21 structures at random and optimized them, then calculated their formation energy per atom. The calculations were run on Quantum Espresso 6.7 software using the SSSP-Efficiency pseudopotential library. All atoms were fully relaxed until the force on every atom converged to below 0.001 eV/Å. A 4 × 4 × 4 automatic k-point mesh was used for the calculations. The force was converged within 10 -3 Ry/Bohr, while the convergence threshold for self-consistency was taken to be 10 -6 Ry.