Li2VFeO4
Li2VFeO4 is a metastable semiconducting quaternary oxide containing lithium, vanadium, iron, and oxygen, primarily studied for its potential in advanced electrochemical applications.
About Li2VFeO4
Li2VFeO4 is a complex quaternary oxide composed of lithium, vanadium, iron, and oxygen. As a semiconducting material, it represents a unique intersection of transition metal chemistry that is of significant interest for researchers investigating new electrode materials for electrochemical systems. Although it is classified as a metastable phase, its structural diversity is evidenced by multiple reported configurations across various databases. This complexity suggests a flexible lattice capable of accommodating different atomic arrangements, which is a critical factor for ion transport and stability in high-performance applications.
Key Properties
Cross-validated computational properties for Li2VFeO4, 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 Li2VFeO4, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 1.22 | 0.0437 | -7.347 | 4.03 |
| P2/m (No. 10) | monoclinic | 1.12 | 0.0457 | -7.345 | 4.03 |
| Imma (No. 74) | orthorhombic | 0.78 | 0.0472 | -7.343 | 4.06 |
| C2/m (No. 12) | monoclinic | 0.95 | 0.0603 | -7.330 | 4.20 |
| I-4m2 (No. 119) | tetragonal | 0.00 | 0.1123 | -7.278 | 4.14 |
| I-4m2 (No. 119) | Tetragonal | — | — | — | 4.14 |
| I-4m2 (No. 119) | Tetragonal | — | — | — | 4.67 |
| I-4m2 (No. 119) | Tetragonal | — | — | — | 4.93 |
| P2/m (No. 10) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| P2/m (No. 10) | Monoclinic | — | — | — | 4.03 |
| P2/m (No. 10) | Monoclinic | — | — | — | 4.49 |
Applications
Where Li2VFeO4 is used.
Frequently Asked Questions
Common questions about Li2VFeO4, answered from cross-validated data.
What is Li2VFeO4?
Li2VFeO4 is a metastable semiconducting quaternary oxide containing lithium, vanadium, iron, and oxygen, primarily studied for its potential in advanced electrochemical applications.
What is Li2VFeO4 used for?
What is the band gap of Li2VFeO4?
Is Li2VFeO4 a metal, semiconductor, or insulator?
Is Li2VFeO4 thermodynamically stable?
What is the crystal structure of Li2VFeO4?
What is the density of Li2VFeO4?
How many polymorphs of Li2VFeO4 are known?
What elements does Li2VFeO4 contain?
Where does the data for Li2VFeO4 come from?
How It Compares
As a unique quaternary oxide, Li2VFeO4 serves as an intriguing subject for study within the broader landscape of lithium-based transition metal oxides. While many similar compounds are synthesized for their thermodynamic stability, this material is notable for its metastable nature, offering a distinct structural profile that differentiates it from more conventional, highly stable oxide frameworks.
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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