Li2TiV3O8
Li2TiV3O8 is a semiconducting lithium-titanium-vanadium oxide being investigated as a potential anode material for battery technologies.
About Li2TiV3O8
Li2TiV3O8 is a semiconducting complex oxide belonging to the titanate anode class. Its composition, which integrates lithium, titanium, and vanadium, positions it as a subject of interest for advanced electrochemical energy storage systems.
As a near-hull material, it is considered a viable candidate for synthesis and experimental characterization. With a significant number of reported structures across various databases, it represents a well-documented entry in the search for high-performance battery electrode materials.
Key Properties
Cross-validated computational properties for Li2TiV3O8, 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 Li2TiV3O8, 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 | 0.00 | 0.0060 | -8.335 | 3.74 |
| P212121 (No. 19) | orthorhombic | 1.24 | 0.0061 | -8.335 | 3.76 |
| C2 (No. 5) | monoclinic | 0.98 | 0.0084 | -8.333 | 3.74 |
| P-1 (No. 2) | triclinic | 0.96 | 0.0088 | -8.332 | 3.73 |
| P2/c (No. 13) | monoclinic | 0.00 | 0.0091 | -8.332 | 3.74 |
| C2/m (No. 12) | monoclinic | 1.08 | 0.0100 | -8.331 | 3.73 |
| P43212 (No. 96) | tetragonal | 1.09 | 0.0169 | -8.324 | 3.75 |
| R-3m (No. 166) | trigonal | 0.03 | 0.0211 | -8.320 | 3.77 |
| Cc (No. 9) | monoclinic | 1.32 | 0.0231 | -8.318 | 3.90 |
| P1 (No. 1) | triclinic | 1.26 | 0.0257 | -8.316 | 3.88 |
| P213 (No. 198) | cubic | 0.35 | 0.0345 | -8.307 | 3.90 |
| P-1 (No. 2) | triclinic | 1.34 | 0.0661 | -8.275 | 3.71 |
Applications
Where Li2TiV3O8 is used.
Frequently Asked Questions
Common questions about Li2TiV3O8, answered from cross-validated data.
What is Li2TiV3O8?
Li2TiV3O8 is a semiconducting lithium-titanium-vanadium oxide being investigated as a potential anode material for battery technologies.
What is Li2TiV3O8 used for?
What is the band gap of Li2TiV3O8?
Is Li2TiV3O8 a metal, semiconductor, or insulator?
Is Li2TiV3O8 thermodynamically stable?
What is the crystal structure of Li2TiV3O8?
What is the density of Li2TiV3O8?
How many polymorphs of Li2TiV3O8 are known?
What elements does Li2TiV3O8 contain?
Where does the data for Li2TiV3O8 come from?
How It Compares
Within the titanate anodes class.
Within the diverse family of titanate anodes, Li2TiV3O8 occupies a distinct niche by incorporating vanadium to modulate its electronic properties. Unlike the more common Li2TiO3 or Na2Ti3O7, which are frequently studied for their structural stability, this compound leverages the redox activity of its transition metal components to potentially enhance electrochemical performance in anode applications.
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).
- mpaloe — Data from mpaloe.
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