LiMn2OF3 is an oxyfluoride ceramic compound containing lithium, manganese, oxygen, and fluorine, representing a mixed-anion ceramic material class. This composition is primarily of research interest for energy storage and electrochemical applications, particularly as a cathode material or precursor in lithium-ion battery development, where the combination of lithium and manganese oxides offers potential for improved ionic conductivity and cycling stability. The oxyfluoride structure is notable because fluorine substitution can enhance electrochemical performance compared to traditional oxide counterparts, though this material remains largely in the experimental/development phase rather than established high-volume production.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Bulk Modulus(K) | 83.59 | GPa | DFT · OptB88vdW | ||
Poisson's Ratio(ν) | 0.3300 | - | DFT · OptB88vdW | ||
Shear Modulus(G) | 32.05 | GPa | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 3.631 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg) | 1.035 | eV | DFT · OptB88vdW | ||
Dielectric Constant (Relative Permittivity)(εr) | 10.90 | - | DFT · OptB88vdW | ||
Piezoelectric Modulus(eij) | 0.1024 | C/m² | DFT · OptB88vdW | ||
Thermoelectric Power Factor(PF)2 entries | 0.000518 | W/(m·K²) | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 0.000791 | W/(m·K²) | DFT · OptB88vdW · p-type · 1e20 cm⁻³ · 327°C | ||
Seebeck Coefficient(S)2 entries | -240.7 | μV/K | DFT · OptB88vdW · n-type · 1e20 cm⁻³ · 327°C | ||
| ↳ | 401.5 | 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) | -2.251 | 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