Li2CuSb is an intermetallic compound combining lithium, copper, and antimony, belonging to the class of lightweight metallic compounds with potential for energy storage and thermoelectric applications. This is primarily a research material rather than an established commercial product; compounds in this family are investigated for their role in lithium-ion battery anodes, solid-state electrolytes, and thermoelectric devices where the combination of low density and electronic/ionic transport properties offers theoretical advantages over conventional alternatives. Engineers would consider this material in advanced battery architectures or emerging energy conversion systems where the specific intermetallic structure may enable better cycling stability, higher energy density, or improved thermal management compared to pure metals or conventional alloys.
Compliance & Regulations
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K)3 entries | 53.29 | GPa | DFT | ||
| ↳ | 52.63 | GPa | DFT · OptB88vdW | ||
| ↳ | 53.29 | GPa | DFT · PBE | ||
Elastic Compliance Tensor(Sij) | Matrix (redacted) | 1/GPa | DFT · PBE | ||
Elastic Anisotropy(AU) | 2.439 | - | DFT · PBE | ||
Elastic Stiffness Tensor(Cij) | Matrix (redacted) | Pa | DFT · PBE | ||
Poisson's Ratio(ν)2 entries | 0.2500 | - | DFT · OptB88vdW | ||
| ↳ | 0.2354 | - | DFT · PBE | ||
Shear Modulus(G)3 entries | 34.25 | GPa | DFT | ||
| ↳ | 38.90 | GPa | DFT · OptB88vdW | ||
| ↳ | 34.25 | GPa | DFT · PBE |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 5.177 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 0.6080 | eV | DFT · OptB88vdW | ||
| ↳ | 0.8470 | eV | DFT · TBmBJ | ||
Dielectric Constant (Relative Permittivity)(εr)3 entries | 29.33 | - | DFT · OptB88vdW | ||
| ↳ | 28.80 | - | DFT · PBE | ||
| ↳ | 27.47 range 23.13–31.81median of 2 measurements | - | DFT · PBEsol | ||
High-Frequency Dielectric Constant (ε∞)(ε∞)2 entries | 19.62 | - | DFT · OptB88vdW | ||
| ↳ | 17.48 | - | DFT · TBmBJ | ||
Electronic Dielectric Tensor(ε∞) | Matrix (redacted) | - | DFT · PBE | ||
Total Dielectric Tensor(ε) | Matrix (redacted) | - | DFT · PBE | ||
Electron Effective Mass(m*e) | 0.4500 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 0.3200 | me | DFT · OptB88vdW · 27°C | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Piezoelectric Modulus(eij)2 entries | 0.3330 | C/m² | DFT · OptB88vdW | ||
| ↳ | 0.3281 | C/m² | DFT · PBE | ||
Piezoelectric Stress Tensor(eij) | Matrix (redacted) | C/m² | DFT · PBE | ||
Thermoelectric Power Factor(PF)2 entries | 0.00453 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00493 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -267.6 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 209.1 | μV/K | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Spectroscopic Limited Maximum Efficiency (SLME)(SLME) | 27.48 | % | DFT · TBmBJ |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.05190 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf) | -0.4458 | 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