Li2TiCo2O5
Li2TiCo2O5 is a semiconducting, metastable layered oxide containing lithium, titanium, and cobalt, primarily studied for its potential applications in electrochemical energy storage.
About Li2TiCo2O5
Li2TiCo2O5 belongs to the class of layered lithium transition-metal oxides, characterized by its semiconducting electronic nature. As a metastable phase, it represents a complex arrangement of lithium, titanium, and cobalt within an oxygen framework, offering a unique structural profile for researchers investigating ion-conducting materials. Its existence is supported by multiple reported structures across major materials databases, highlighting its significance in the study of transition-metal oxide chemistry. The compound is primarily of interest for its potential role in advanced electrochemical energy storage systems where structural stability and electronic properties are critical. By balancing the redox-active cobalt with the structural stabilizing influence of titanium, this material provides a distinct platform for exploring lithium mobility in layered architectures.
Key Properties
Cross-validated computational properties for Li2TiCo2O5, 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 Li2TiCo2O5, 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/c (No. 15) | monoclinic | 1.30 | 0.0597 | -7.310 | 4.67 |
| C2 (No. 5) | monoclinic | 1.59 | 0.0836 | -7.286 | 4.62 |
| C2 (No. 5) | monoclinic | 1.42 | 0.0915 | -7.278 | 4.67 |
| P-1 (No. 2) | triclinic | 0.78 | 0.1008 | -7.269 | 4.64 |
| P1 (No. 1) | triclinic | 1.37 | 0.1894 | -7.180 | 4.63 |
| C2/c (No. 15) | Monoclinic | — | — | — | 4.88 |
| C2 (No. 5) | Monoclinic | — | — | — | 4.67 |
| C2/c (No. 15) | Monoclinic | — | — | — | 4.67 |
| P1 (No. 1) | — | — | — | — | — |
| P-1 (No. 2) | Triclinic | — | — | — | 4.64 |
| C2/c (No. 15) | Monoclinic | — | — | — | 5.00 |
| C2/c (No. 15) | — | — | — | — | — |
Applications
Where Li2TiCo2O5 is used.
Frequently Asked Questions
Common questions about Li2TiCo2O5, answered from cross-validated data.
What is Li2TiCo2O5?
Li2TiCo2O5 is a semiconducting, metastable layered oxide containing lithium, titanium, and cobalt, primarily studied for its potential applications in electrochemical energy storage.
What is Li2TiCo2O5 used for?
What is the band gap of Li2TiCo2O5?
Is Li2TiCo2O5 a metal, semiconductor, or insulator?
Is Li2TiCo2O5 thermodynamically stable?
What is the crystal structure of Li2TiCo2O5?
What is the density of Li2TiCo2O5?
How many polymorphs of Li2TiCo2O5 are known?
What elements does Li2TiCo2O5 contain?
Where does the data for Li2TiCo2O5 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Within the diverse family of layered lithium transition-metal oxides, Li2TiCo2O5 stands out as a metastable alternative to more conventional, highly stable cathode materials like LiCoO2. While LiCoO2 is widely utilized for its robust performance in commercial batteries, Li2TiCo2O5 offers a different structural landscape that challenges the standard stoichiometry found in more common members such as LiNiO2 or LiMn2O4, providing a specialized case study for how titanium substitution alters the electronic environment of the transition-metal layers.
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).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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