Li4TiCo5O12
Li4TiCo5O12 is a metastable, semiconducting lithium transition-metal oxide investigated for its potential utility in advanced energy storage applications.
About Li4TiCo5O12
Li4TiCo5O12 belongs to the family of layered lithium transition-metal oxides, characterized by its semiconducting electronic structure. As a metastable phase, it represents a complex arrangement of lithium, titanium, cobalt, and oxygen atoms that offers unique pathways for ion transport and structural stability in electrochemical environments. Its existence is supported by multiple reported structural configurations, highlighting its significance in materials discovery.
The compound is primarily investigated for its potential role in next-generation energy storage systems. By incorporating titanium into a cobalt-rich oxide framework, it aims to balance the electrochemical performance and structural integrity required for high-capacity applications in lithium-ion technology.
Key Properties
Cross-validated computational properties for Li4TiCo5O12, 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 Li4TiCo5O12, 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/m (No. 12) | monoclinic | 1.24 | 0.0354 | -6.901 | 4.55 |
| P1 (No. 1) | triclinic | 0.84 | 0.0359 | -6.900 | 4.52 |
| C2/m (No. 12) | monoclinic | 1.12 | 0.0483 | -6.888 | 4.46 |
| C2/c (No. 15) | monoclinic | 1.13 | 0.0493 | -6.887 | 4.51 |
| P1 (No. 1) | triclinic | 0.09 | 0.0583 | -6.878 | 4.44 |
| C2/c (No. 15) | monoclinic | 0.32 | 0.0586 | -6.877 | 4.41 |
| C2 (No. 5) | monoclinic | 0.00 | 0.0613 | -6.875 | 4.40 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.0625 | -6.873 | 4.46 |
| P-1 (No. 2) | triclinic | 0.75 | 0.0956 | -6.840 | 4.29 |
| C2 (No. 5) | monoclinic | 0.10 | 0.0982 | -6.838 | 4.40 |
| P1 (No. 1) | triclinic | 0.00 | 0.1266 | -6.809 | 4.20 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.46 |
Applications
Where Li4TiCo5O12 is used.
Frequently Asked Questions
Common questions about Li4TiCo5O12, answered from cross-validated data.
What is Li4TiCo5O12?
Li4TiCo5O12 is a metastable, semiconducting lithium transition-metal oxide investigated for its potential utility in advanced energy storage applications.
What is Li4TiCo5O12 used for?
What is the band gap of Li4TiCo5O12?
Is Li4TiCo5O12 a metal, semiconductor, or insulator?
Is Li4TiCo5O12 thermodynamically stable?
What is the crystal structure of Li4TiCo5O12?
What is the density of Li4TiCo5O12?
How many polymorphs of Li4TiCo5O12 are known?
What elements does Li4TiCo5O12 contain?
Where does the data for Li4TiCo5O12 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Within the broader class of layered lithium transition-metal oxides, Li4TiCo5O12 serves as a specialized, metastable alternative to more conventional cathode materials like LiCoO2. While LiCoO2 is the industry standard for high-energy density, the inclusion of titanium in this compound differentiates its structural behavior and potential stability profile compared to simpler oxides such as LiNiO2 or LiMnO2.
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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