Nb₄I₄O₈ is a mixed-valence niobium oxide-iodide compound belonging to the family of layered transition metal halide oxides, functioning as a semiconductor. This is primarily a research material explored for its unique crystal structure and electronic properties rather than an established commercial compound. The material family is of interest in photocatalysis, optoelectronics, and solid-state chemistry communities due to the potential for tunable band gaps and novel charge-transfer behavior arising from the mixed niobium oxidation states and halide-oxide framework.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 55.26 | GPa | — | ||
Shear Modulus(G) | 32.95 | GPa | — |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg) | 0.7991 | eV | — |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Formation Energy(ΔHf) | -2.055 | eV/atom | — |