Figure 5
From: First-Principles Predictions and Synthesis of B50C2 by Chemical Vapor Deposition
Crystal structures and phonon spectra for B50C2 with (a) carbon atoms inserted only into the 2b sites of a base B52 α-tetragonal phase, and (b) carbon atoms inserted into both the B12 icosahedron and 2b sites. The negative phonon modes for the structure shown in (a) indicates its dynamical instability.
