These atomic coordinates are examples of SQS (special quasirandom structure) models
for arbitrary binary bcc (body centered cubic) and hcp (hexagonal close packed) structures. 
These are constructed by 4x4x4 conventional cells (128 atoms). 

Request:
When you publish results obtained using the atomic coordinates, kindly cite the publication:

Wenchong Zhou, Maaouia Souissi, Taichi Abe, Ryoji Sahara, Patrick H. -L. Sit, and Koichi Tsuchiya,
"Evaluating the phase stability of binary titanium alloy Ti-X (X = Mo, Nb, Al, and Zr) 
using first-principles calculations and a Debye model"
CALPHAD 71 (2020) 102207. 

and possibly the URL and/or DOI:
https://mdr.nims.go.jp/concern/datasets/rv042v066?locale=en
https://doi.org/10.34968/nims.1429


corresponding author: 
Ryoji Sahara, SAHARA.Ryoji@nims.go.jp

19th October 2020


