Li2FeCo3O8
Li2FeCo3O8 is a semiconducting complex oxide composed of lithium, iron, cobalt, and oxygen that is being studied for potential use in electrochemical energy storage.
About Li2FeCo3O8
Li2FeCo3O8 is a member of the layered lithium transition-metal oxide family, characterized by its semiconducting electronic nature. Its composition, involving both iron and cobalt, positions it as a complex oxide of significant interest for researchers investigating multi-metal cathode architectures.
As a near-hull material, it is considered a promising candidate for experimental synthesis. The structural diversity observed across multiple databases suggests that this compound maintains a stable enough configuration to be a subject of ongoing investigation in the development of next-generation battery materials.
Key Properties
Cross-validated computational properties for Li2FeCo3O8, 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 Li2FeCo3O8, 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. |
|---|---|---|---|---|---|
| R-3m (No. 166) | trigonal | 0.00 | 0.0010 | -6.796 | 4.55 |
| C2/c (No. 15) | monoclinic | 0.71 | 0.0014 | -6.796 | 4.56 |
| P1 (No. 1) | triclinic | 0.28 | 0.0030 | -6.794 | 4.55 |
| C2/c (No. 15) | monoclinic | 0.50 | 0.0188 | -6.778 | 4.42 |
| P4332 (No. 212) | cubic | 0.32 | 0.0299 | -6.767 | 4.72 |
| C2 (No. 5) | monoclinic | 0.00 | 0.0299 | -6.767 | 4.67 |
| Cc (No. 9) | monoclinic | 0.44 | 0.0397 | -6.757 | 4.56 |
| P-1 (No. 2) | triclinic | 0.00 | 0.0439 | -6.753 | 4.31 |
| P63mc (No. 186) | hexagonal | 0.00 | 0.0824 | -6.715 | 4.95 |
| C2/m (No. 12) | monoclinic | 0.19 | 0.0956 | -6.702 | 4.35 |
| R3m (No. 160) | trigonal | 0.00 | 0.0962 | -6.701 | 4.70 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.1060 | -6.691 | 4.32 |
Applications
Where Li2FeCo3O8 is used.
Frequently Asked Questions
Common questions about Li2FeCo3O8, answered from cross-validated data.
What is Li2FeCo3O8?
Li2FeCo3O8 is a semiconducting complex oxide composed of lithium, iron, cobalt, and oxygen that is being studied for potential use in electrochemical energy storage.
What is Li2FeCo3O8 used for?
What is the band gap of Li2FeCo3O8?
Is Li2FeCo3O8 a metal, semiconductor, or insulator?
Is Li2FeCo3O8 thermodynamically stable?
What is the crystal structure of Li2FeCo3O8?
What is the density of Li2FeCo3O8?
How many polymorphs of Li2FeCo3O8 are known?
What elements does Li2FeCo3O8 contain?
Where does the data for Li2FeCo3O8 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Within the broad class of layered lithium transition-metal oxides, Li2FeCo3O8 occupies a unique niche compared to more traditional, single-transition-metal compounds like LiCoO2 or LiNiO2. While those materials are well-established industry standards, Li2FeCo3O8 represents a more complex, multi-metal approach that aims to balance the electrochemical properties of iron and cobalt within 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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