NaLi₂Sb is an intermetallic ceramic compound combining sodium, lithium, and antimony, belonging to the family of lightweight metal compounds with ceramic character. This material is primarily of research interest for solid-state battery applications, particularly as a potential electrolyte or electrode material in next-generation lithium-ion and sodium-ion battery systems, where its ionic conductivity and structural stability at elevated temperatures may offer advantages in energy density and thermal safety. Engineers consider compounds in this compositional space when developing all-solid-state battery architectures where traditional liquid electrolytes present flammability or leakage risks.
Compliance & Regulations
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K)2 entries | 4,266.1 | ksi | DFT | ||
| ↳ | 4,419.3 | ksi | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.1900 | - | DFT · OptB88vdW | ||
Shear Modulus(G)2 entries | 3,310.4 | ksi | DFT | ||
| ↳ | 3,625.9 | ksi | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 0.1211 | lb/in³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg) | 0.9290 | eV | DFT · OptB88vdW | ||
Dielectric Constant (Relative Permittivity)(εr)3 entries | 16.80 | - | DFT · OptB88vdW | ||
| ↳ | 17.48 | - | DFT · PBE | ||
| ↳ | 13.26 range 9.488–17.03median of 2 measurements | - | DFT · PBEsol | ||
High-Frequency Dielectric Constant (ε∞)(ε∞) | 9.386 | - | DFT · OptB88vdW | ||
Electronic Dielectric Tensor(ε∞) | Matrix (redacted) | - | DFT · PBE | ||
Total Dielectric Tensor(ε) | Matrix (redacted) | - | DFT · PBE | ||
Electron Effective Mass(m*e) | 0.2400 | me | DFT · OptB88vdW · 27°C | ||
Hole Effective Mass(m*h) | 0.5400 | me | DFT · OptB88vdW · 27°C | ||
Magnetic Moment(μB) | 0.000 | µB | DFT · OptB88vdW | ||
Piezoelectric Modulus(eij) | 0.000 | C/m² | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.00166 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.00350 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -126.6 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 255.6 | 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) | -0.6360 | 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