NaBi₃I₂O₄ is an inorganic ceramic compound belonging to the bismuth iodide oxide family, combining alkali metal, bismuth, iodine, and oxygen constituents in a mixed-valence structure. This material is primarily of research and development interest rather than established in high-volume industrial production, with investigations focused on its potential in photocatalytic applications, ion-conducting ceramics, and optoelectronic devices where bismuth-based oxides and halides show promise for energy conversion or environmental remediation. The compound's heavy metal content (bismuth, iodine) and layered crystal chemistry make it a candidate for studying photocatalytic water splitting, pollutant degradation, or solid-state ionic conductivity—applications where bismuth compounds have demonstrated advantages over traditional oxide semiconductors in terms of band gap engineering and visible-light activation.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 48.91 | GPa | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2800 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 25.07 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 7.394 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 2.002 | eV | DFT · OptB88vdW | ||
| ↳ | 3.259 | eV | DFT · TBmBJ | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 6.722 | - | DFT · OptB88vdW | ||
| ↳ | 4.929 | - | DFT · TBmBJ | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 2.520 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -1.320 | eV/atom | DFT · OptB88vdW |
Reference data from cited sources. Not verified or certified by MatWorld Inc. Verify against the source before use in design. Terms: engineering data