CaP2Ir2 is an intermetallic ceramic compound combining calcium, phosphorus, and iridium—a rare material that sits at the intersection of phosphide chemistry and precious metal metallurgy. This compound remains primarily in the research domain, where it is investigated for high-temperature structural applications and potentially as a catalyst or wear-resistant coating material, leveraging iridium's exceptional hardness and chemical inertness alongside calcium phosphide's unique bonding characteristics. Its density and thermal stability make it a candidate for extreme-environment engineering, though industrial adoption is limited and material behavior is not yet fully characterized.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 8.824 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 0.4560 | eV | DFT · OptB88vdW | ||
| ↳ | 0.5090 | eV | DFT · TBmBJ | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 36.07 | - | DFT · OptB88vdW | ||
| ↳ | 31.40 | - | DFT · TBmBJ | ||
Electron Effective Mass(m*e) | 0.08000 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 0.08667 | me | DFT · OptB88vdW · 27°C | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.00257 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00162 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -334.4 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 319.7 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 15.72 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -0.8872 | 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