Li3TiV3O8
Li3TiV3O8 is a semiconducting complex oxide used as an anode material in electrochemical energy storage systems.
About Li3TiV3O8
Li3TiV3O8 is a semiconducting complex oxide that functions as a specialized anode material within the broader titanate family. Its unique structural arrangement allows for efficient lithium-ion transport, making it a subject of interest for advanced battery architectures that require stable cycling performance. Although it is classified as a metastable phase, its structural versatility provides a distinct pathway for optimizing electrochemical kinetics in energy storage devices. The material is primarily studied for its ability to accommodate lithium ions while maintaining structural integrity during repeated charge and discharge cycles, which is critical for long-term battery reliability.
Key Properties
Cross-validated computational properties for Li3TiV3O8, 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 Li3TiV3O8, 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. |
|---|---|---|---|---|---|
| R-3m (No. 166) | trigonal | 1.60 | 0.0297 | -8.037 | 3.79 |
| P63mc (No. 186) | hexagonal | 1.52 | 0.0499 | -8.017 | 3.96 |
| Cm (No. 8) | monoclinic | 1.03 | 0.0692 | -7.997 | 3.63 |
| Cm (No. 8) | — | — | — | — | — |
| R-3m (No. 166) | Trigonal | — | — | — | 4.11 |
| R-3m (No. 166) | Trigonal | — | — | — | 3.79 |
| R-3m (No. 166) | Trigonal | — | — | — | 3.96 |
| P63mc (No. 186) | Hexagonal | — | — | — | 4.32 |
| P63mc (No. 186) | Hexagonal | — | — | — | 4.17 |
| P63mc (No. 186) | Hexagonal | — | — | — | 3.96 |
| R-3m (No. 166) | — | — | — | — | — |
Applications
Where Li3TiV3O8 is used.
Frequently Asked Questions
Common questions about Li3TiV3O8, answered from cross-validated data.
What is Li3TiV3O8?
Li3TiV3O8 is a semiconducting complex oxide used as an anode material in electrochemical energy storage systems.
What is Li3TiV3O8 used for?
What is the band gap of Li3TiV3O8?
Is Li3TiV3O8 a metal, semiconductor, or insulator?
Is Li3TiV3O8 thermodynamically stable?
What is the crystal structure of Li3TiV3O8?
What is the density of Li3TiV3O8?
How many polymorphs of Li3TiV3O8 are known?
What elements does Li3TiV3O8 contain?
Where does the data for Li3TiV3O8 come from?
How It Compares
Within the titanate anodes class.
Within the diverse group of titanate anodes, Li3TiV3O8 occupies a niche position compared to more common structures like Li2TiO3. While many titanates are characterized by their robust stability, this compound offers a unique electronic profile due to the inclusion of vanadium, which differentiates its redox behavior from simpler binary or ternary titanates like Li2Ti3O7 or Na2Ti3O7.
Related Compounds
Other Titanate Anodes in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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