Structure and Stability of B₁₀N₁₄: Cages, Sheets, and Rings

Table 4

Cage vs. ring vs. graphitic sheet comparison for B₁₀N₁₄.

Isomer	Energy (kJ/mole)
608A cage	0.0
608B cage	+10.7
365 cage	−33.2
5050 ring	+351.1
6040 ring	+355.3
S2 sheet	−129.2
S3 sheet	−119.2
S4 sheet	−148.3

Relative energies are calculated using PBE1PBE/cc-pVDZ, including ZPE corrections.