Li4Ti3O8
Li4Ti3O8 is a metastable semiconducting titanate used primarily as an anode material in lithium-ion battery research.
About Li4Ti3O8
Li4Ti3O8 is a semiconducting titanate that functions as an anode material in electrochemical systems. As a metastable phase, it represents a specialized configuration of lithium, titanium, and oxygen that offers unique pathways for ion transport during cycling.
Its significance lies in its ability to accommodate lithium ions within its lattice, making it a subject of interest for advanced battery research. By leveraging its semiconducting nature, researchers study this compound to optimize charge-discharge performance in high-efficiency energy storage devices.
Key Properties
Cross-validated computational properties for Li4Ti3O8, 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 Li4Ti3O8, 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 | 2.17 | 0.0596 | -7.755 | 3.36 |
| R-3m (No. 166) | trigonal | 1.74 | 0.0975 | -7.717 | 3.43 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.36 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.53 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.44 |
| R-3m (No. 166) | Trigonal | — | — | — | 3.43 |
| R-3m (No. 166) | Trigonal | — | — | — | 3.60 |
| R-3m (No. 166) | Trigonal | — | — | — | 3.51 |
| R-3m (No. 166) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
Applications
Where Li4Ti3O8 is used.
Frequently Asked Questions
Common questions about Li4Ti3O8, answered from cross-validated data.
What is Li4Ti3O8?
Li4Ti3O8 is a metastable semiconducting titanate used primarily as an anode material in lithium-ion battery research.
What is Li4Ti3O8 used for?
What is the band gap of Li4Ti3O8?
Is Li4Ti3O8 a metal, semiconductor, or insulator?
Is Li4Ti3O8 thermodynamically stable?
What is the crystal structure of Li4Ti3O8?
What is the density of Li4Ti3O8?
How many polymorphs of Li4Ti3O8 are known?
What elements does Li4Ti3O8 contain?
Where does the data for Li4Ti3O8 come from?
How It Compares
Within the titanate anodes class.
Within the diverse family of titanate anodes, Li4Ti3O8 occupies a distinct structural niche compared to more common phases like Li2TiO3. While many titanates are characterized by their thermodynamic stability, this compound is notable for its metastability, which influences its electrochemical reactivity and structural evolution when compared to other lithium-titanium-based oxides.
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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