KHgC₂IN₂ is an experimental ceramic compound containing potassium, mercury, carbon, iodine, and nitrogen—a rare hybrid composition that sits at the intersection of inorganic and coordination chemistry research. This material belongs to the family of mercury-containing ceramics and mixed-halide compounds, typically synthesized for fundamental studies of electronic, optical, or structural properties rather than for established industrial production. The material's potential significance lies in applications requiring specific combinations of ionic conductivity, optical response, or catalytic behavior, though practical engineering applications remain largely in the research phase pending further characterization and scalability studies.
Compliance & Regulations
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 18.18 | GPa | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.3300 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 7.650 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 4.064 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 2.523 | eV | DFT · OptB88vdW | ||
| ↳ | 3.703 | eV | DFT · TBmBJ | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 4.009 | - | DFT · OptB88vdW | ||
| ↳ | 3.114 | - | DFT · TBmBJ | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 0.5500 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.4011 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -0.05628 | 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