BaScO2F is a barium scandium fluoride-oxide ceramic compound that belongs to the rare-earth containing oxide-fluoride ceramic family. This material is primarily of research interest for advanced applications requiring high ionic conductivity and thermal stability, particularly in solid-state electrolytes and fluoride-ion conductors where conventional ceramics fall short. Its dual anionic framework (oxygen and fluoride) positions it as a candidate for next-generation energy storage devices and high-temperature electrochemical systems.
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| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Density(ρ) | 5.284 | kg/m³ | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Band Gap(Eg)2 entries | 6.000 | eV | DFT · GLLB-SC | ||
| ↳ | 3.035 | eV | DFT · OptB88vdW | ||
High-Frequency Dielectric Constant (ε∞)(ε∞) | 4.279 | - | DFT · OptB88vdW | ||
Magnetic Moment(μB)2 entries | -1.071e-15 | μB | DFT | ||
| ↳ | 0.000 | µB | DFT · OptB88vdW |
| Property | Value | Unit | Conditions | Source | |
|---|---|---|---|---|---|
Energy Above Hull(ΔEhull) | 0.02280 | eV/atom | DFT · OptB88vdW | ||
Formation Energy(ΔHf)2 entries | 0.04000 | eV/atom | DFT | ||
| ↳ | -3.670 | 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