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Figure 5
The electron localization function (ELF) mapping (a), total and partial DOS (densities of states) (b), and iCOHP curves (c) for orthorhombic three-dimensional superstructure from TB-LMTO-ASA calculations.

Journal logoSTRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS
ISSN: 2052-5206
Volume 70| Part 2| March 2014| Pages 212-217
doi:10.1107/S2052520613030709
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