Computational materials discovery: the case of the W–B system

Cheng, X.-Y.; Chen, X.-Q.; Li, D.-Z.; Li, Y.-Y.

doi:10.1107/S2053229613027551

Acta Crystallographica Section C
Acta Crystallographica
Section C STRUCTURAL CHEMISTRY

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Figure 14
Electron localization function dual isosurface maps for the tungsten borides (a) tI12′-W₂B, (b) mP15-W₈B₇, (c) oC8-WB, (d) tI16-WB, (e) hP6-WB₂ and (f) hR24-WB₃. The yellow isosurface represents an ELF value of 0.65. Blue and pink spheres represent W and B, respectively.

STRUCTURAL
CHEMISTRY

ISSN: 2053-2296

Volume 70| Part 2| January 2014| Pages 85-103

doi:10.1107/S2053229613027551

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