Li4TiCo3O8
Li4TiCo3O8 is a metastable, semiconducting layered oxide containing lithium, titanium, and cobalt, primarily investigated for its potential in electrochemical energy storage applications.
About Li4TiCo3O8
Li4TiCo3O8 belongs to the class of layered lithium transition-metal oxides, characterized by a complex arrangement of lithium and transition metal ions within an oxygen framework. As a semiconducting material, it represents an intriguing candidate for research into ion-conducting pathways and electronic transport mechanisms within battery-related structures. Although it is classified as metastable, its structural diversity is evidenced by numerous reported configurations across multiple databases. This compound is primarily studied for its potential utility in electrochemical energy storage, where the interplay between lithium mobility and the transition metal redox environment is critical. Its unique composition allows for systematic investigation into how titanium and cobalt substitution influences the stability and electrochemical performance of layered oxide systems.
Key Properties
Cross-validated computational properties for Li4TiCo3O8, 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 Li4TiCo3O8, 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. |
|---|---|---|---|---|---|
| P1 (No. 1) | triclinic | 0.66 | 0.0709 | -6.861 | 4.34 |
| P-1 (No. 2) | triclinic | 0.62 | 0.0716 | -6.861 | 4.30 |
| P1 (No. 1) | triclinic | 1.00 | 0.0786 | -6.854 | 3.45 |
| C2/m (No. 12) | monoclinic | 0.37 | 0.0795 | -6.853 | 4.31 |
| P-1 (No. 2) | triclinic | 0.03 | 0.0815 | -6.851 | 4.29 |
| C2/c (No. 15) | monoclinic | 0.15 | 0.0819 | -6.850 | 4.30 |
| P1 (No. 1) | triclinic | 0.00 | 0.0932 | -6.839 | 4.33 |
| C2/c (No. 15) | monoclinic | 0.00 | 0.0972 | -6.835 | 4.28 |
| P1 (No. 1) | Triclinic | — | — | — | 3.45 |
| P1 (No. 1) | Triclinic | — | — | — | 3.66 |
| P1 (No. 1) | Triclinic | — | — | — | 3.58 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.30 |
Applications
Where Li4TiCo3O8 is used.
Frequently Asked Questions
Common questions about Li4TiCo3O8, answered from cross-validated data.
What is Li4TiCo3O8?
Li4TiCo3O8 is a metastable, semiconducting layered oxide containing lithium, titanium, and cobalt, primarily investigated for its potential in electrochemical energy storage applications.
What is Li4TiCo3O8 used for?
What is the band gap of Li4TiCo3O8?
Is Li4TiCo3O8 a metal, semiconductor, or insulator?
Is Li4TiCo3O8 thermodynamically stable?
What is the crystal structure of Li4TiCo3O8?
What is the density of Li4TiCo3O8?
How many polymorphs of Li4TiCo3O8 are known?
What elements does Li4TiCo3O8 contain?
Where does the data for Li4TiCo3O8 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Within the broader family of layered lithium transition-metal oxides, Li4TiCo3O8 occupies a specialized niche compared to more conventional materials like LiCoO2 or LiNiO2. While LiCoO2 is a widely utilized commercial cathode material with a stable, well-defined layered structure, Li4TiCo3O8 exhibits a more complex, metastable nature that distinguishes it from the simpler stoichiometry of its siblings. It shares structural motifs with other mixed-metal oxides like Li5Mn3O8, yet its specific combination of titanium and cobalt offers a distinct electronic profile that researchers utilize to explore alternative pathways for lithium-ion intercalation.
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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