Li3TiCo3O8
Li3TiCo3O8 is a semiconducting, metastable layered oxide containing lithium, titanium, and cobalt used in materials research for battery applications.
About Li3TiCo3O8
Li3TiCo3O8 belongs to the class of layered lithium transition-metal oxides, characterized by its semiconducting electronic nature. As a metastable phase, it represents a complex structural arrangement of lithium, titanium, cobalt, and oxygen atoms that offers unique pathways for ion mobility.
This material is of significant interest in materials science due to its structural versatility and the potential for tuning its properties through chemical substitution. Researchers investigate such oxides to understand how transition-metal mixing influences electrochemical performance in next-generation battery technologies.
Key Properties
Cross-validated computational properties for Li3TiCo3O8, 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 Li3TiCo3O8, 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. |
|---|---|---|---|---|---|
| P63mc (No. 186) | hexagonal | 0.64 | 0.0667 | -7.005 | 4.76 |
| R-3m (No. 166) | trigonal | 0.00 | 0.0764 | -6.996 | 4.56 |
| R-3m (No. 166) | Trigonal | — | — | — | 4.56 |
| R-3m (No. 166) | Trigonal | — | — | — | 4.78 |
| R-3m (No. 166) | Trigonal | — | — | — | 4.66 |
| P63mc (No. 186) | Hexagonal | — | — | — | 4.76 |
| P63mc (No. 186) | Hexagonal | — | — | — | 5.03 |
| P63mc (No. 186) | Hexagonal | — | — | — | 4.91 |
| R-3m (No. 166) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| P63mc (No. 186) | — | — | — | — | — |
Applications
Where Li3TiCo3O8 is used.
Frequently Asked Questions
Common questions about Li3TiCo3O8, answered from cross-validated data.
What is Li3TiCo3O8?
Li3TiCo3O8 is a semiconducting, metastable layered oxide containing lithium, titanium, and cobalt used in materials research for battery applications.
What is Li3TiCo3O8 used for?
What is the band gap of Li3TiCo3O8?
Is Li3TiCo3O8 a metal, semiconductor, or insulator?
Is Li3TiCo3O8 thermodynamically stable?
What is the crystal structure of Li3TiCo3O8?
What is the density of Li3TiCo3O8?
How many polymorphs of Li3TiCo3O8 are known?
What elements does Li3TiCo3O8 contain?
Where does the data for Li3TiCo3O8 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Unlike the highly stable and widely commercialized LiCoO2, Li3TiCo3O8 exists in a metastable state, reflecting the structural complexity inherent in multi-metal lithium oxides. While simpler compounds like LiAlO2 often serve as structural templates, this material's inclusion of both titanium and cobalt positions it as a more intricate member of the layered oxide family compared to binary or ternary counterparts.
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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