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. 2019 Dec 12;59(1):548–554. doi: 10.1021/acs.inorgchem.9b02834

Table 1. Decomposition Enthalpies (millielectronvolts per atom) Computed at the DFT/PBESol Level of Theory.

decomposition mechanism ΔHd (meV/atom)
Cs3Cu4In2Cl13 → 4CuCl + 2InCl3 + 3CsCl 83.2
Cs3Cu4In2Cl13 → Cs3Cu2Cl5 + 2InCl3 + 2CuCl 57.5
Cs3Cu4In2Cl13 → Cs3In2Cl9 + 4CuCl 23.5