Published in
Royal Society of Chemistry, Energy & Environmental Science, 6(11), p. 1480-1488
DOI: 10.1039/c8ee00306h
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A valence balanced rule for discovery of 18-electron half-Heuslers with defects
Journal article published in 2018 by
Shashwat Anand 
,
Kaiyang Xia,
Vinay I. Hegde ,
Umut Aydemir,
Vancho Kocevski ,
Tiejun Zhu ,
Chris Wolverton,
G. Jeffrey Snyder
,
Kaiyang Xia,
Vinay I. Hegde ,
Umut Aydemir,
Vancho Kocevski ,
Tiejun Zhu ,
Chris Wolverton,
G. Jeffrey Snyder
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Abstract
Thermodynamically stable ground state half-Heusler structures are valence balanced irrespective of electron count or stoichiometry.