Li2CrCoO4
Li2CrCoO4 is a metastable, semiconducting layered oxide containing lithium, chromium, and cobalt, primarily researched for its potential in advanced battery cathode applications.
About Li2CrCoO4
Li2CrCoO4 is a complex layered lithium transition-metal oxide that exhibits semiconducting electronic behavior. As a metastable phase, it represents a unique structural configuration within the broader family of lithium-based oxides, offering researchers a distinct platform for studying ion mobility and structural transformation.
This compound is primarily investigated for its role in electrochemical energy storage systems. Its specific arrangement of lithium, chromium, cobalt, and oxygen atoms makes it a subject of interest for those seeking to optimize cathode materials for next-generation battery technologies.
Key Properties
Cross-validated computational properties for Li2CrCoO4, 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 Li2CrCoO4, 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/c (No. 15) | monoclinic | 0.67 | 0.0488 | -7.078 | 4.28 |
| Imma (No. 74) | orthorhombic | 0.63 | 0.0749 | -7.052 | 4.29 |
| P2/m (No. 10) | monoclinic | 0.01 | 0.0819 | -7.045 | 4.28 |
| I-4m2 (No. 119) | tetragonal | 0.00 | 0.1034 | -7.023 | 4.56 |
| P1 (No. 1) | triclinic | 0.40 | 0.2448 | -6.882 | 4.54 |
| P2/m (No. 10) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| Imma (No. 74) | — | — | — | — | — |
| P2/m (No. 10) | Monoclinic | — | — | — | 4.28 |
| P2/m (No. 10) | Monoclinic | — | — | — | 4.97 |
| P2/m (No. 10) | Monoclinic | — | — | — | 4.68 |
Applications
Where Li2CrCoO4 is used.
Frequently Asked Questions
Common questions about Li2CrCoO4, answered from cross-validated data.
What is Li2CrCoO4?
Li2CrCoO4 is a metastable, semiconducting layered oxide containing lithium, chromium, and cobalt, primarily researched for its potential in advanced battery cathode applications.
What is Li2CrCoO4 used for?
What is the band gap of Li2CrCoO4?
Is Li2CrCoO4 a metal, semiconductor, or insulator?
Is Li2CrCoO4 thermodynamically stable?
What is the crystal structure of Li2CrCoO4?
What is the density of Li2CrCoO4?
How many polymorphs of Li2CrCoO4 are known?
What elements does Li2CrCoO4 contain?
Where does the data for Li2CrCoO4 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Within the class of layered lithium transition-metal oxides, Li2CrCoO4 occupies a specialized niche compared to more conventional materials like LiCoO2 or LiMn2O4. While LiCoO2 is widely utilized as a benchmark cathode material due to its high stability, Li2CrCoO4 presents a more complex, metastable framework that challenges standard synthesis approaches and highlights the diverse structural possibilities available when incorporating multiple transition metals 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).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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