CrP₂S₇ is a layered metal-phosphide-sulfide compound that belongs to an emerging class of two-dimensional materials with anisotropic crystal structure. This is a research-phase material being investigated for applications requiring layered van der Waals solids, where weak interlayer bonding enables exfoliation and tunable properties. The material shows potential in nanoelectronics, catalysis, and energy storage applications where its layered geometry and mixed-metal chemistry can be leveraged, though industrial adoption remains limited compared to established transition metal dichalcogenides (such as MoS₂).
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 3,670.9 | ksi | DFT · OptB88vdW | ||
Exfoliation Energy(Eexf) | 57.61 | meV/atom | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.3100 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 2,063.9 | ksi | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 0.08317 | lb/in³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 0.000 | eV | DFT · OptB88vdW | ||
| ↳ | 0.00200 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr) | 972.3 | - | DFT · OptB88vdW | ||
High-Frequency Dielectric Constant (ε∞)(ε∞) | 45.35 | - | DFT · TBmBJ | ||
Magnetic Moment(μB) | 2.001 | µB | DFT · OptB88vdW | ||
Piezoelectric Modulus(eij) | 1.476 | C/m² | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.000104 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.000107 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | 37.78 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 38.75 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 5.840 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.05150 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -0.2938 | 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