Li3Al2CoO6
Li3Al2CoO6 is a semiconducting, metastable layered oxide containing lithium, aluminum, cobalt, and oxygen used in materials science research.
About Li3Al2CoO6
Li3Al2CoO6 is a complex layered lithium transition-metal oxide that exhibits semiconducting behavior. As a metastable phase, it represents a unique structural configuration within the lithium-based oxide family, offering researchers insights into the interplay between aluminum and cobalt in a rigid oxygen framework. Its electronic properties make it a subject of interest for those studying ion mobility and structural evolution in battery materials. The compound is primarily utilized in solid-state chemistry research, where its specific atomic arrangement provides a model for understanding the stability of transition-metal oxides under varying conditions. By investigating its structural characteristics, scientists aim to refine the design of future electrode materials that require precise control over electronic and ionic transport.
Key Properties
Cross-validated computational properties for Li3Al2CoO6, 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 Li3Al2CoO6, 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 | 0.83 | 0.0328 | -6.784 | 3.72 |
| P-3m1 (No. 164) | trigonal | 0.86 | 0.0357 | -6.781 | 3.74 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.72 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.14 |
| P-3m1 (No. 164) | Trigonal | — | — | — | 3.74 |
| P-3m1 (No. 164) | Trigonal | — | — | — | 3.99 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.98 |
| P-3m1 (No. 164) | Trigonal | — | — | — | 4.14 |
| C2/m (No. 12) | — | — | — | — | — |
| P-3m1 (No. 164) | — | — | — | — | — |
Applications
Where Li3Al2CoO6 is used.
Frequently Asked Questions
Common questions about Li3Al2CoO6, answered from cross-validated data.
What is Li3Al2CoO6?
Li3Al2CoO6 is a semiconducting, metastable layered oxide containing lithium, aluminum, cobalt, and oxygen used in materials science research.
What is Li3Al2CoO6 used for?
What is the band gap of Li3Al2CoO6?
Is Li3Al2CoO6 a metal, semiconductor, or insulator?
Is Li3Al2CoO6 thermodynamically stable?
What is the crystal structure of Li3Al2CoO6?
What is the density of Li3Al2CoO6?
How many polymorphs of Li3Al2CoO6 are known?
What elements does Li3Al2CoO6 contain?
Where does the data for Li3Al2CoO6 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Within the broad class of layered lithium transition-metal oxides, Li3Al2CoO6 occupies a distinct niche compared to more conventional materials like LiCoO2 or LiNiO2. While LiCoO2 is a highly stable and widely commercialized cathode material, Li3Al2CoO6 is characterized by its metastable nature and the inclusion of aluminum, which serves to modify the electronic landscape and structural integrity of the lattice. Unlike the spinel-structured LiMn2O4, this compound maintains a layered architecture that highlights the diversity of lithium-rich oxide phases available for electrochemical exploration.
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).
Analyze Li3Al2CoO6 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →