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. 2023 May 24;8(22):20096–20101. doi: 10.1021/acsomega.3c02378

Table 2. Average ICOHP of Pb–Br Bonds for CsPbBr3 Perovskites.

phase no. of bonds ave.(−ICOHP) [eV ]
orthorhombic 8 –1.64
tetragonal 8 –1.62