Fig. 1: Creation of defect supercells for the example of MoS2.
From: Quantum point defects in 2D materials - the QPOD database
Top view of a primitive unit cell of MoS2 (red, dashed), an example of a conventional 4 × 4 × 1 supercell (orange, dashed), as well as our approach of a symmetry broken supercell (blue, solid).
