Li2Cr2CoO6
Li2Cr2CoO6 is a semiconducting, metastable layered oxide used in research for potential battery cathode applications.
About Li2Cr2CoO6
Li2Cr2CoO6 belongs to the class of layered lithium transition-metal oxides, characterized by its semiconducting electronic structure. As a metastable compound, it represents a complex arrangement of lithium, chromium, cobalt, and oxygen atoms that offers unique structural pathways for ion mobility.
This material is primarily investigated for its potential role in electrochemical energy storage. Its specific transition-metal composition is designed to explore alternative cathode chemistries that could eventually improve the performance or stability of next-generation battery technologies.
Key Properties
Cross-validated computational properties for Li2Cr2CoO6, 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 Li2Cr2CoO6, 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 | 0.65 | 0.0441 | -7.504 | 4.11 |
| P-1 (No. 2) | triclinic | 0.29 | 0.0791 | -7.469 | 4.06 |
| P-1 (No. 2) | triclinic | 0.00 | 0.0821 | -7.466 | 4.25 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.06 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.60 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.42 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.55 |
| C2/m (No. 12) | — | — | — | — | — |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.11 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.36 |
| C2/m (No. 12) | — | — | — | — | — |
Applications
Where Li2Cr2CoO6 is used.
Frequently Asked Questions
Common questions about Li2Cr2CoO6, answered from cross-validated data.
What is Li2Cr2CoO6?
Li2Cr2CoO6 is a semiconducting, metastable layered oxide used in research for potential battery cathode applications.
What is Li2Cr2CoO6 used for?
What is the band gap of Li2Cr2CoO6?
Is Li2Cr2CoO6 a metal, semiconductor, or insulator?
Is Li2Cr2CoO6 thermodynamically stable?
What is the crystal structure of Li2Cr2CoO6?
What is the density of Li2Cr2CoO6?
How many polymorphs of Li2Cr2CoO6 are known?
What elements does Li2Cr2CoO6 contain?
Where does the data for Li2Cr2CoO6 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Within the diverse family of layered lithium transition-metal oxides, Li2Cr2CoO6 occupies a specialized niche compared to more conventional materials like LiCoO2. While LiCoO2 is a foundational, highly stable cathode material, Li2Cr2CoO6 presents as a metastable alternative that highlights the structural diversity possible when incorporating multiple transition metals like chromium and cobalt into a single lattice.
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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