Li2TiCoO4
Li2TiCoO4 is a semiconducting, metastable layered oxide containing lithium, titanium, and cobalt, primarily studied for its potential in advanced battery technologies.
About Li2TiCoO4
Li2TiCoO4 belongs to the class of layered lithium transition-metal oxides, characterized by a semiconducting electronic structure. As a metastable compound, it represents a complex arrangement of lithium, titanium, and cobalt ions within an oxygen framework, offering unique pathways for ion mobility and structural transformation.
This material is of significant interest in the development of next-generation electrochemical energy storage systems. Its specific composition allows researchers to investigate how varying transition metal ratios influence charge-discharge performance and structural integrity during cycling in battery applications.
Key Properties
Cross-validated computational properties for Li2TiCoO4, 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 Li2TiCoO4, 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. |
|---|---|---|---|---|---|
| P2/m (No. 10) | monoclinic | 1.06 | 0.0378 | -7.346 | 4.10 |
| Imma (No. 74) | orthorhombic | 1.25 | 0.0406 | -7.344 | 4.08 |
| I-4m2 (No. 119) | tetragonal | 0.19 | 0.0579 | -7.326 | 4.22 |
| I-4m2 (No. 119) | — | — | — | — | — |
| I-4m2 (No. 119) | Tetragonal | — | — | — | 4.22 |
| I-4m2 (No. 119) | Tetragonal | — | — | — | 4.43 |
| I-4m2 (No. 119) | Tetragonal | — | — | — | 4.35 |
Applications
Where Li2TiCoO4 is used.
Frequently Asked Questions
Common questions about Li2TiCoO4, answered from cross-validated data.
What is Li2TiCoO4?
Li2TiCoO4 is a semiconducting, metastable layered oxide containing lithium, titanium, and cobalt, primarily studied for its potential in advanced battery technologies.
What is Li2TiCoO4 used for?
What is the band gap of Li2TiCoO4?
Is Li2TiCoO4 a metal, semiconductor, or insulator?
Is Li2TiCoO4 thermodynamically stable?
What is the crystal structure of Li2TiCoO4?
What is the density of Li2TiCoO4?
How many polymorphs of Li2TiCoO4 are known?
What elements does Li2TiCoO4 contain?
Where does the data for Li2TiCoO4 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Within the broad family of layered lithium transition-metal oxides, Li2TiCoO4 occupies a distinct niche compared to the highly stable and widely utilized LiCoO2. While LiCoO2 serves as the industry standard for cathode materials, Li2TiCoO4 is explored as a more complex, metastable alternative that challenges traditional structural paradigms and offers different electrochemical potential profiles.
Related Compounds
Other Layered Lithium Transition-Metal Oxides 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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