CrPS4 is a layered metal chalcogenide compound combining chromium, phosphorus, and sulfur in a van der Waals stacked structure. This is an emerging research material being investigated for potential applications in nanoelectronics, energy storage, and optoelectronic devices where its layered geometry and tunable electronic properties could enable performance advantages over conventional bulk materials.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 34.62 | GPa | DFT · OptB88vdW | ||
Exfoliation Energy(Eexf) | 72.20 | meV/atom | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.2600 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 20.31 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 2.873 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg) | 0.6510 | eV | DFT · OptB88vdW | ||
Dielectric Constant (Relative Permittivity)(εr) | 750.5 | - | DFT · OptB88vdW | ||
High-Frequency Dielectric Constant (ε∞)(ε∞) | 59.52 | - | DFT · OptB88vdW | ||
Magnetic Moment(μB) | 5.999 | µB | DFT · OptB88vdW | ||
Piezoelectric Modulus(eij) | 0.000 | C/m² | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.00107 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.000813 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -195.3 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 289 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.000 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -0.4753 | 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