. 2025 Jun 24;10(29):31789–31800. doi: 10.1021/acsomega.5c02977

1. Relative Energy Values (in Hartree) for Different Cr Spin Multiplicities, Referenced to the Most Stable Cr-Modified B₁₂N₁₂ System.

Cr spin	CrB₁₁N₁₂	B₁₂N₁₁Cr	Cr@b₆₄	Cr@b₆₆	Cr@B₁₂N₁₂
1	0.036	0.035	0.106	0.114	0.000
3	0.000	0.000	0.044	0.440	0.012
5	0.075	0.030	0.000	0.000	0.024

1. Relative Energy Values (in Hartree) for Different Cr Spin Multiplicities, Referenced to the Most Stable Cr-Modified B12N12 System.