Li2TiV2O6
Li2TiV2O6 is a metastable semiconducting complex oxide used in research for advanced lithium-ion battery anode applications.
About Li2TiV2O6
Li2TiV2O6 is a semiconducting complex oxide belonging to the titanate anode class. As a metastable phase, it represents a unique structural configuration within the lithium-titanium-vanadium-oxygen system, attracting interest for its potential role in electrochemical energy storage devices.
Its electronic character and structural complexity make it a subject of ongoing investigation for high-performance battery applications. By leveraging the redox activity of transition metals within its lattice, this compound contributes to the broader research effort in finding stable and efficient anode materials for next-generation lithium-ion systems.
Key Properties
Cross-validated computational properties for Li2TiV2O6, 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 Li2TiV2O6, 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. |
|---|---|---|---|---|---|
| C2/m (No. 12) | monoclinic | 1.29 | 0.0359 | -8.158 | 3.76 |
| P21/m (No. 11) | monoclinic | 1.39 | 0.0431 | -8.151 | 3.74 |
| Cmce (No. 64) | orthorhombic | 0.96 | 0.0884 | -8.106 | 3.60 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.76 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.05 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.91 |
| Cmce (No. 64) | Orthorhombic | — | — | — | 3.88 |
| P-1 (No. 2) | — | — | — | — | — |
| P2/c (No. 13) | — | — | — | — | — |
| Cmce (No. 64) | Orthorhombic | — | — | — | 3.60 |
| Cmce (No. 64) | Orthorhombic | — | — | — | 3.76 |
| Cmce (No. 64) | — | — | — | — | — |
Applications
Where Li2TiV2O6 is used.
Frequently Asked Questions
Common questions about Li2TiV2O6, answered from cross-validated data.
What is Li2TiV2O6?
Li2TiV2O6 is a metastable semiconducting complex oxide used in research for advanced lithium-ion battery anode applications.
What is Li2TiV2O6 used for?
What is the band gap of Li2TiV2O6?
Is Li2TiV2O6 a metal, semiconductor, or insulator?
Is Li2TiV2O6 thermodynamically stable?
What is the crystal structure of Li2TiV2O6?
What is the density of Li2TiV2O6?
How many polymorphs of Li2TiV2O6 are known?
What elements does Li2TiV2O6 contain?
Where does the data for Li2TiV2O6 come from?
How It Compares
Within the titanate anodes class.
Within the diverse family of titanate anodes, Li2TiV2O6 occupies a distinct position compared to more established members like Li2TiO3 or Li2Ti3O7. While many titanates are characterized by their robust thermodynamic stability, this compound is notable for its metastable nature, which offers different kinetic pathways for lithium intercalation compared to the more common binary or ternary titanate structures.
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.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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