The data of article ''An efficient algorithm for generating perfect special quasirandom structures with many-body correlation functions and its application to the Kronig–Penney model"

However, it is still a challenge to generate structures that perfectly satisfy the constraints of correlation functions, especially for many-body interactions. Taking one-dimensional systems as an example, we develop an efficient SQS construction algorithm for multi-component materials based on De Bruijn sequences, which can be extended for systems with higher dimensions and more components.

The constructed SQSs by in our algorithm are shown to universally satisfy all the constraints of 1 ∼ n-body interactions and the numbers of consecutive identical-atom subsequences follow a unified counting rule. Based on the Kronig–Penney model, we have systematically investigated the impact of structural disorder on electronic properties. As the cell size increases, there are the same trends of the electronic structures obtained from SQSs and fully random structures while SQSs display markedly faster convergence and significantly reduced fluctuations.