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 8
The crystal structures and their corresponding phonon dispersions of WB₃: (a)/(e) hR24-WB₃, (b)/(f) hP16-WB₃, (c)/(g) hP8-WB₃, and (d)/(h) hP4-WB₃. Blue and pink spheres represent W and B atoms, respectively. A, B, C, K and K′ indicate the different layer types in the packing, as discussed in the text.

STRUCTURAL
CHEMISTRY

ISSN: 2053-2296

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

doi:10.1107/S2053229613027551

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