LiCr2CoO6
LiCr2CoO6 is a metastable, semiconducting layered lithium transition-metal oxide used in advanced materials research for electrochemical applications.
About LiCr2CoO6
LiCr2CoO6 is a complex layered lithium transition-metal oxide characterized by its semiconducting electronic nature. As a metastable phase, it represents a unique structural arrangement within the broader family of lithium-based oxides, offering researchers insight into the stability and electrochemical potential of multi-metal oxide systems.
This compound is primarily studied within the context of materials science for battery applications, where its specific transition-metal composition influences ion mobility and structural integrity. Its existence as a metastable material makes it a subject of interest for synthesis optimization and performance modeling in next-generation electrochemical devices.
Key Properties
Cross-validated computational properties for LiCr2CoO6, 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 LiCr2CoO6, 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. |
|---|---|---|---|---|---|
| Cm (No. 8) | monoclinic | 0.50 | 0.0926 | -7.662 | 4.11 |
| Cm (No. 8) | — | — | — | — | — |
| Cm (No. 8) | Monoclinic | — | — | — | 4.56 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.11 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.33 |
Applications
Where LiCr2CoO6 is used.
Frequently Asked Questions
Common questions about LiCr2CoO6, answered from cross-validated data.
What is LiCr2CoO6?
LiCr2CoO6 is a metastable, semiconducting layered lithium transition-metal oxide used in advanced materials research for electrochemical applications.
What is LiCr2CoO6 used for?
What is the band gap of LiCr2CoO6?
Is LiCr2CoO6 a metal, semiconductor, or insulator?
Is LiCr2CoO6 thermodynamically stable?
What is the crystal structure of LiCr2CoO6?
What is the density of LiCr2CoO6?
How many polymorphs of LiCr2CoO6 are known?
What elements does LiCr2CoO6 contain?
Where does the data for LiCr2CoO6 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Unlike the highly stable and commercially ubiquitous LiCoO2, LiCr2CoO6 exists in a metastable state, which presents distinct challenges and opportunities for structural engineering. While materials like LiNiO2 are widely utilized for their high capacity, this compound serves as a specialized research candidate for exploring how different transition-metal combinations can tune electronic behavior in layered oxide lattices.
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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