"Automated procedure to determine the thermodynamic stability of a material ..."

John Buckeridge et al. (2014)

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DOI: 10.1016/J.CPC.2013.08.026

access: closed

type: Journal Article

metadata version: 2021-10-14

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John Buckeridge, David O. Scanlon, Aron Walsh, C. Richard A. Catlow:
Automated procedure to determine the thermodynamic stability of a material and the range of chemical potentials necessary for its formation relative to competing phases and compounds. Comput. Phys. Commun. 185(1): 330-338 (2014)

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