Li2FeCoO4
Li2FeCoO4 is a metastable, semiconducting layered oxide containing lithium, iron, cobalt, and oxygen, primarily studied for its potential in advanced electrochemical energy storage.
About Li2FeCoO4
Li2FeCoO4 is a complex layered lithium transition-metal oxide characterized by its semiconducting electronic nature. As a metastable phase, it represents an intriguing subject for solid-state chemistry research, offering a unique structural framework that incorporates both iron and cobalt within the lithium-oxide lattice. Its synthesis and stability are of significant interest for understanding the behavior of mixed-metal oxides in electrochemical environments. This material is primarily investigated for its potential utility in next-generation battery technologies, where the synergistic effects of multiple transition metals are sought to optimize ion transport and charge capacity. By exploring the structural diversity of this compound, researchers aim to unlock new pathways for developing high-performance electrode materials that move beyond traditional single-metal systems.
Key Properties
Cross-validated computational properties for Li2FeCoO4, 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 Li2FeCoO4, 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. |
|---|---|---|---|---|---|
| P2/m (No. 10) | monoclinic | 0.84 | 0.0745 | -6.672 | 4.34 |
| I-4m2 (No. 119) | tetragonal | 0.00 | 0.0851 | -6.662 | 4.46 |
| C2/c (No. 15) | monoclinic | 0.53 | 0.1291 | -6.618 | 4.62 |
| R-3m (No. 166) | trigonal | 0.00 | 0.1403 | -6.607 | 4.73 |
| P2/m (No. 10) | Monoclinic | — | — | — | 4.94 |
| P2/m (No. 10) | — | — | — | — | — |
| P2/m (No. 10) | Monoclinic | — | — | — | 4.34 |
| Imma (No. 74) | — | — | — | — | — |
| I-4m2 (No. 119) | Tetragonal | — | — | — | 4.80 |
| P2/m (No. 10) | — | — | — | — | — |
| P2/m (No. 10) | Monoclinic | — | — | — | 5.34 |
| I-4m2 (No. 119) | — | — | — | — | — |
Applications
Where Li2FeCoO4 is used.
Frequently Asked Questions
Common questions about Li2FeCoO4, answered from cross-validated data.
What is Li2FeCoO4?
Li2FeCoO4 is a metastable, semiconducting layered oxide containing lithium, iron, cobalt, and oxygen, primarily studied for its potential in advanced electrochemical energy storage.
What is Li2FeCoO4 used for?
What is the band gap of Li2FeCoO4?
Is Li2FeCoO4 a metal, semiconductor, or insulator?
Is Li2FeCoO4 thermodynamically stable?
What is the crystal structure of Li2FeCoO4?
What is the density of Li2FeCoO4?
How many polymorphs of Li2FeCoO4 are known?
What elements does Li2FeCoO4 contain?
Where does the data for Li2FeCoO4 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Within the broad family of layered lithium transition-metal oxides, Li2FeCoO4 occupies a distinct niche compared to well-established standards like LiCoO2. While LiCoO2 serves as a foundational benchmark for commercial cathode materials due to its high stability, Li2FeCoO4 is a more complex, metastable variant that challenges conventional structural paradigms. Unlike the simpler binary transition-metal systems or the spinel-structured LiMn2O4, this compound leverages the interplay between iron and cobalt to explore different electrochemical landscapes, positioning it as a specialized candidate for fundamental studies rather than mass-market applications.
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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