Li2TiVO4
Li2TiVO4 is a semiconducting titanate compound investigated for use as an anode material in lithium-ion batteries.
About Li2TiVO4
Li2TiVO4 is a semiconducting complex oxide belonging to the titanate anode class. Its electronic properties and structural flexibility make it a subject of interest for researchers seeking to optimize ion transport and storage capacity in electrochemical devices.
As a near-hull material, it is considered a promising candidate for experimental synthesis. Its composition allows for stable integration within battery architectures, where it functions as an active component for reversible lithium intercalation.
Key Properties
Cross-validated computational properties for Li2TiVO4, 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 Li2TiVO4, 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 | 0.54 | 0.0223 | -7.825 | 3.84 |
| P2/m (No. 10) | monoclinic | 0.00 | 0.0234 | -7.824 | 3.88 |
| Imma (No. 74) | orthorhombic | 0.00 | 0.0235 | -7.824 | 3.88 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.0273 | -7.821 | 3.87 |
| C2 (No. 5) | monoclinic | 0.21 | 0.0274 | -7.820 | 3.87 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.0287 | -7.819 | 3.87 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.0288 | -7.819 | 3.87 |
| I-42m (No. 121) | tetragonal | 0.00 | 0.0303 | -7.817 | 4.01 |
| I222 (No. 23) | orthorhombic | 0.00 | 0.0322 | -7.816 | 3.99 |
| P1 (No. 1) | triclinic | 0.00 | 0.0322 | -7.816 | 4.01 |
| C222 (No. 21) | orthorhombic | 0.00 | 0.0342 | -7.814 | 3.98 |
| P-1 (No. 2) | triclinic | 0.00 | 0.0343 | -7.814 | 3.85 |
Applications
Where Li2TiVO4 is used.
Frequently Asked Questions
Common questions about Li2TiVO4, answered from cross-validated data.
What is Li2TiVO4?
Li2TiVO4 is a semiconducting titanate compound investigated for use as an anode material in lithium-ion batteries.
What is Li2TiVO4 used for?
What is the band gap of Li2TiVO4?
Is Li2TiVO4 a metal, semiconductor, or insulator?
Is Li2TiVO4 thermodynamically stable?
What is the crystal structure of Li2TiVO4?
What is the density of Li2TiVO4?
How many polymorphs of Li2TiVO4 are known?
What elements does Li2TiVO4 contain?
Where does the data for Li2TiVO4 come from?
How It Compares
Within the titanate anodes class.
Within the diverse family of titanate anodes, Li2TiVO4 occupies a unique position compared to more conventional structures like Li2TiO3. While many titanates are primarily investigated for their structural stability, the inclusion of vanadium in the lattice provides distinct electronic characteristics that differentiate it from the alkali-rich titanates such as Na2Ti3O7 or the more complex Li2TiV3O8.
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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