Li2Ti3VO8
Li2Ti3VO8 is a stable, semiconducting titanate compound utilized in the study and development of advanced battery anode materials.
About Li2Ti3VO8
Li2Ti3VO8 is a complex oxide belonging to the titanate anode family, characterized by its semiconducting electronic nature. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural configuration within the lithium-titanium-vanadium-oxygen chemical space.
This material is primarily investigated for its role in energy storage applications, where its stable framework is leveraged to facilitate ion transport. Its presence across multiple structural databases highlights its significance as a subject of ongoing research in high-performance electrode development.
Key Properties
Cross-validated computational properties for Li2Ti3VO8, 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 Li2Ti3VO8, 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 | 0.62 | 0.0006 | -8.552 | 3.65 |
| R-3m (No. 166) | trigonal | 0.00 | 0.0129 | -8.540 | 3.66 |
| P63mc (No. 186) | hexagonal | 0.26 | 0.0372 | -8.515 | 3.72 |
| C2/m (No. 12) | monoclinic | 0.22 | 0.0908 | -8.462 | 3.62 |
| C2/m (No. 12) | — | — | — | — | — |
| P63mc (No. 186) | Hexagonal | — | — | — | 3.72 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.72 |
| P63mc (No. 186) | Hexagonal | — | — | — | 3.92 |
| C2/m (No. 12) | — | — | — | — | — |
| P63mc (No. 186) | Hexagonal | — | — | — | 3.84 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.62 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.82 |
Applications
Where Li2Ti3VO8 is used.
Frequently Asked Questions
Common questions about Li2Ti3VO8, answered from cross-validated data.
What is Li2Ti3VO8?
Li2Ti3VO8 is a stable, semiconducting titanate compound utilized in the study and development of advanced battery anode materials.
What is Li2Ti3VO8 used for?
What is the band gap of Li2Ti3VO8?
Is Li2Ti3VO8 a metal, semiconductor, or insulator?
Is Li2Ti3VO8 thermodynamically stable?
What is the crystal structure of Li2Ti3VO8?
What is the density of Li2Ti3VO8?
How many polymorphs of Li2Ti3VO8 are known?
What elements does Li2Ti3VO8 contain?
Where does the data for Li2Ti3VO8 come from?
How It Compares
Within the titanate anodes class.
Within the diverse group of titanate anodes, Li2Ti3VO8 stands out for its specific stoichiometry compared to simpler binary or ternary oxides like Li2TiO3. While siblings such as Li2TiV3O8 or Li2TiVO4 demonstrate the versatility of incorporating vanadium into the titanate lattice, Li2Ti3VO8 offers a distinct balance of transition metals that influences its electrochemical behavior and structural integrity relative to the more common Li2Ti3O7.
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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