CuH12I4N4 is a copper-based coordination compound or metal-organic hybrid material combining copper with iodine and nitrogen-containing ligands. This is a research-phase material rather than a conventional structural alloy, positioned within the family of metal halide coordination complexes that show promise for optoelectronic and semiconductor applications. The copper-iodine framework with nitrogen coordination offers potential for tunable electronic properties, making it of interest in emerging fields where both chemical functionality and mechanical stability are required.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 2,236.5 | ksi | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.3600 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 1,005.1 | ksi | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 0.1202 | lb/in³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg) | 0.8110 | eV | DFT · OptB88vdW | ||
High-Frequency Dielectric Constant (ε∞)(ε∞) | 6.897 | - | DFT · OptB88vdW | ||
Magnetic Moment(μB) | 0.9980 | µB | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.0000120 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.0000936 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -298.1 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 290.9 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 21.45 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.05450 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -0.3087 | 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