VCu₃Se₄ is a ternary intermetallic compound combining vanadium, copper, and selenium, belonging to the class of metal chalcogenides. This is a research-phase material studied primarily for its electronic and structural properties rather than established industrial production. The compound is of interest in materials science for potential applications in thermoelectric devices, semiconducting systems, and solid-state electronics, where the combination of transition metal (vanadium) with copper and chalcogen constituents can yield tunable band structures and transport properties.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K)2 entries | 5,212.5 | ksi | DFT | ||
| ↳ | 5,212.5 | ksi | DFT · PBE | ||
Elastic Compliance Tensor(Sij) | Matrix (redacted) | 1/GPa | DFT · PBE | ||
Elastic Anisotropy(AU) | 0.2057 | - | DFT · PBE | ||
Elastic Stiffness Tensor(Cij) | Matrix (redacted) | ksi | DFT · PBE | ||
Poisson's Ratio(ν) | 0.2585 | - | DFT · PBE | ||
Shear Modulus(G)2 entries | 3,000.4 | ksi | DFT | ||
| ↳ | 3,000.4 | ksi | DFT · PBE |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 0.1900 | lb/in³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg) | 0.9750 | eV | DFT · OptB88vdW | ||
Dielectric Constant (Relative Permittivity)(εr)3 entries | 9.086 | - | DFT · OptB88vdW | ||
| ↳ | 9.000 | - | DFT · PBE | ||
| ↳ | 9.173 range 8.938–9.408median of 2 measurements | - | DFT · PBEsol | ||
Electronic Dielectric Tensor(ε∞) | Matrix (redacted) | - | DFT · PBE | ||
Total Dielectric Tensor(ε) | Matrix (redacted) | - | DFT · PBE | ||
Electron Effective Mass(m*e) | 1.730 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 0.5100 | me | DFT · OptB88vdW · 27°C | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Piezoelectric Modulus(eij)2 entries | 0.08646 | C/m² | DFT · OptB88vdW | ||
| ↳ | 0.09372 | C/m² | DFT · PBE | ||
Piezoelectric Stress Tensor(eij) | Matrix (redacted) | C/m² | DFT · PBE | ||
Thermoelectric Power Factor(PF)2 entries | 0.00128 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00218 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -364 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 253.3 | 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) | -0.4669 | 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