Li2TiCo3O8
Li2TiCo3O8 is a semiconducting, metastable lithium transition-metal oxide used in advanced materials research for battery technology.
About Li2TiCo3O8
Li2TiCo3O8 is a complex layered lithium transition-metal oxide characterized by its semiconducting electronic behavior. As a metastable phase, it represents a unique configuration within the broader family of lithium-based oxides, offering researchers a distinct structural template for investigating ion mobility and electrochemical performance. The material is primarily studied for its potential utility in energy storage systems, where the interplay between cobalt, titanium, and lithium ions dictates its functional properties. Its existence as a metastable compound highlights the intricate synthesis pathways required to stabilize such specific transition-metal arrangements for high-performance applications.
Key Properties
Cross-validated computational properties for Li2TiCo3O8, 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 Li2TiCo3O8, 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. |
|---|---|---|---|---|---|
| P4332 (No. 212) | cubic | 0.03 | 0.0294 | -7.167 | 4.52 |
| R-3m (No. 166) | trigonal | 0.00 | 0.0301 | -7.166 | 4.54 |
| Cc (No. 9) | monoclinic | 0.00 | 0.0374 | -7.159 | 4.65 |
| P1 (No. 1) | triclinic | 0.00 | 0.0767 | -7.120 | 4.51 |
| P1 (No. 1) | triclinic | 0.00 | 0.0870 | -7.109 | 4.17 |
| C2 (No. 5) | monoclinic | 0.15 | 0.0933 | -7.103 | 4.11 |
| R-3m (No. 166) | — | — | — | — | — |
| P63mc (No. 186) | — | — | — | — | — |
| P63mc (No. 186) | — | — | — | — | — |
| Cc (No. 9) | Monoclinic | — | — | — | 4.65 |
| P63mc (No. 186) | Hexagonal | — | — | — | 4.80 |
| P63mc (No. 186) | Hexagonal | — | — | — | 4.93 |
Applications
Where Li2TiCo3O8 is used.
Frequently Asked Questions
Common questions about Li2TiCo3O8, answered from cross-validated data.
What is Li2TiCo3O8?
Li2TiCo3O8 is a semiconducting, metastable lithium transition-metal oxide used in advanced materials research for battery technology.
What is Li2TiCo3O8 used for?
What is the band gap of Li2TiCo3O8?
Is Li2TiCo3O8 a metal, semiconductor, or insulator?
Is Li2TiCo3O8 thermodynamically stable?
What is the crystal structure of Li2TiCo3O8?
What is the density of Li2TiCo3O8?
How many polymorphs of Li2TiCo3O8 are known?
What elements does Li2TiCo3O8 contain?
Where does the data for Li2TiCo3O8 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Within the extensive class of layered lithium transition-metal oxides, Li2TiCo3O8 occupies a specialized niche compared to more conventional, highly stable cathode materials like LiCoO2. While compounds such as LiCoO2 and LiNiO2 are widely utilized for their robust electrochemical cycling, Li2TiCo3O8 serves as an intriguing subject for fundamental studies into how titanium substitution influences the structural stability and electronic environment of the transition-metal framework.
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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