This tool generates the random and special quasi-random structure (SQS)  for BCC and FCC systems using mcsqs algorithm in ATAT package.

ATAT, Atomsk

1. A. Van De Walle, M. Asta, G. Ceder, The alloy theoretic automated toolkit: A user guide, Calphad. 26 (2002) 539–553.

2. A. Van de Walle, P. Tiwary, M. De Jong, D.L. Olmsted, M. Asta, A. Dick, D. Shin, Y. Wang, L.-Q. Chen, Z.-K. Liu, Efficient stochastic generation of special quasirandom structures, Calphad. 42 (2013) 13–18.

Researchers should cite this work as follows:

• 1. A. Van De Walle, M. Asta, G. Ceder, The alloy theoretic automated toolkit: A user guide, Calphad. 26 (2002) 539–553.

  2. A. Van de Walle, P. Tiwary, M. De Jong, D.L. Olmsted, M. Asta, A. Dick, D. Shin, Y. Wang, L.-Q. Chen, Z.-K. Liu, Efficient stochastic generation of special quasirandom structures, Calphad. 42 (2013) 13–18.

• Shivam Tripathi, Rileigh Anne Cotter, Sabir Utamsing, MD MAHBUBUL ISLAM, Mohsen B Kivy, Alejandro Strachan (2019), "Random and Special Quasirandom Structure Generator," https://nanohub.org/resources/sqsatat. (DOI: 10.21981/0AE8-KB43).

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1. crystal structures
2. high entropy alloys