Li2Ti6O13
Li2Ti6O13 is a semiconducting lithium titanate material primarily researched for its potential use as an anode in lithium-ion batteries.
About Li2Ti6O13
Li2Ti6O13 is a semiconducting titanate that functions as a promising anode material for advanced energy storage systems. Its structural framework, characterized by a near-hull thermodynamic stability, suggests it is a viable candidate for synthesis and subsequent electrochemical evaluation in battery architectures.
This compound plays a critical role in the ongoing development of lithium-based power sources, where titanate materials are prized for their structural robustness and safety profiles. By leveraging its semiconducting nature, researchers aim to optimize ion transport and electrode longevity in demanding high-power applications.
Key Properties
Cross-validated computational properties for Li2Ti6O13, 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 Li2Ti6O13, 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 | 2.84 | 0.0194 | -8.839 | 3.24 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.15 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.30 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.22 |
| C2/m (No. 12) | — | — | — | — | — |
Applications
Where Li2Ti6O13 is used.
Frequently Asked Questions
Common questions about Li2Ti6O13, answered from cross-validated data.
What is Li2Ti6O13?
Li2Ti6O13 is a semiconducting lithium titanate material primarily researched for its potential use as an anode in lithium-ion batteries.
What is Li2Ti6O13 used for?
What is the band gap of Li2Ti6O13?
Is Li2Ti6O13 a metal, semiconductor, or insulator?
Is Li2Ti6O13 thermodynamically stable?
What is the crystal structure of Li2Ti6O13?
What is the density of Li2Ti6O13?
How many polymorphs of Li2Ti6O13 are known?
What elements does Li2Ti6O13 contain?
Where does the data for Li2Ti6O13 come from?
How It Compares
Within the titanate anodes class.
Within the diverse family of titanate anodes, Li2Ti6O13 occupies a distinct niche compared to more common lithium-rich phases like Li2TiO3. While many siblings in this class, such as Li2Ti3O7, are frequently investigated for their intercalation kinetics, Li2Ti6O13 offers a unique stoichiometry that provides a different structural landscape for lithium-ion diffusion, setting it apart from the more densely packed transition metal oxide variants like Li2TiVO4.
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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