Li2VFe3O8
Li2VFe3O8 is a metastable semiconducting oxide containing lithium, vanadium, and iron that is primarily studied for its potential in electrochemical energy storage systems.
About Li2VFe3O8
Li2VFe3O8 is a complex oxide featuring a mix of lithium, vanadium, iron, and oxygen. As a semiconducting material, it exhibits electronic properties that make it a subject of interest for researchers investigating transition metal-based compounds for energy-related applications. Its metastable nature suggests a unique structural configuration that requires careful synthesis control to achieve phase purity. The material has been documented across multiple structural databases, highlighting its significance in solid-state chemistry research. By leveraging the redox activity of both vanadium and iron, this compound serves as a candidate for exploring ion-transport mechanisms in battery technologies.
Key Properties
Cross-validated computational properties for Li2VFe3O8, aggregated across 3 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Reported Structures
Lowest-energy structures reported for Li2VFe3O8, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| P4332 (No. 212) | cubic | 1.36 | 0.0754 | -7.553 | 3.92 |
| R-3m (No. 166) | trigonal | 1.03 | 0.0789 | -7.549 | 3.93 |
| P63mc (No. 186) | hexagonal | 1.48 | 0.0959 | -7.532 | 4.08 |
| Cmc21 (No. 36) | orthorhombic | 1.32 | 0.1088 | -7.519 | 4.21 |
| R-3m (No. 166) | Trigonal | — | — | — | 3.93 |
| R-3m (No. 166) | — | — | — | — | — |
| P63mc (No. 186) | — | — | — | — | — |
| R-3m (No. 166) | Trigonal | — | — | — | 4.09 |
| R-3m (No. 166) | Trigonal | — | — | — | 4.27 |
Applications
Where Li2VFe3O8 is used.
Frequently Asked Questions
Common questions about Li2VFe3O8, answered from cross-validated data.
What is Li2VFe3O8?
Li2VFe3O8 is a metastable semiconducting oxide containing lithium, vanadium, and iron that is primarily studied for its potential in electrochemical energy storage systems.
What is Li2VFe3O8 used for?
What is the band gap of Li2VFe3O8?
Is Li2VFe3O8 a metal, semiconductor, or insulator?
Is Li2VFe3O8 thermodynamically stable?
What is the crystal structure of Li2VFe3O8?
What is the density of Li2VFe3O8?
How many polymorphs of Li2VFe3O8 are known?
What elements does Li2VFe3O8 contain?
Where does the data for Li2VFe3O8 come from?
How It Compares
As a unique transition metal oxide, Li2VFe3O8 occupies a specialized niche within the broader landscape of lithium-containing mixed-metal oxides. Unlike more common binary or ternary oxides, its multi-cation composition allows for a complex electronic environment that distinguishes it from simpler structural analogues in the field of inorganic materials science.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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