Calculation crystal structures

DOI for dataset: 10.6084/m9.figshare.26888884Usage Terms and ConditionsThis dataset (hereinafter referred to as "the Data") is the intellectual property of the Guangzhou Municipal Key Laboratory of Materials Informatics, HKUST(GZ) (hereinafter referred to as "the Copyright Holder"). Use of this Data is subject to the following terms:Permitted UseThe Data may be used freely for educational, research, and non-commercial purposes, provided that proper attribution is given, and the original copyright statement is included in its entirety.Prohibition of Commercial UseThe Data may not be used for commercial purposes without explicit prior written consent from the Copyright Holder.Disclaimer of LiabilityThe Data is provided "as is" without any warranty of accuracy, completeness, or fitness for a particular purpose. The Copyright Holder assumes no liability for any consequences arising from the use of this Data.Modification and RedistributionModification or redistribution of this Data for public use is prohibited without prior written permission from the Copyright Holder.