Li2MnFeO4
Li2MnFeO4 is a semiconducting lithium-based transition-metal oxide currently being researched as a potential cathode material for high-performance battery technology.
About Li2MnFeO4
Li2MnFeO4 belongs to the class of layered lithium transition-metal oxides, characterized by its semiconducting electronic structure. As a material that sits near the thermodynamic hull, it is considered a viable candidate for experimental synthesis and further exploration in electrochemical systems. Its structural flexibility makes it a subject of interest for researchers investigating next-generation battery cathode architectures. The compound is primarily studied for its potential role in high-capacity energy storage applications, where the interplay between lithium, manganese, and iron provides a unique framework for ion transport. By leveraging the redox activity of multiple transition metals, this oxide aims to improve upon the energy density limitations found in traditional single-metal cathode materials.
Key Properties
Cross-validated computational properties for Li2MnFeO4, 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 Li2MnFeO4, 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 | 1.21 | 0.0156 | -7.192 | 4.11 |
| I-4m2 (No. 119) | tetragonal | 0.00 | 0.0230 | -7.185 | 4.20 |
| P2/m (No. 10) | monoclinic | 0.23 | 0.0304 | -7.177 | 4.12 |
| Imma (No. 74) | orthorhombic | 0.20 | 0.0312 | -7.176 | 4.11 |
| I-4m2 (No. 119) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| I-4m2 (No. 119) | Tetragonal | — | — | — | 4.53 |
| I-4m2 (No. 119) | Tetragonal | — | — | — | 4.20 |
| P2/m (No. 10) | Monoclinic | — | — | — | 4.30 |
| P2/m (No. 10) | Monoclinic | — | — | — | 4.12 |
| I-4m2 (No. 119) | Tetragonal | — | — | — | 4.44 |
| P2/m (No. 10) | — | — | — | — | — |
Applications
Where Li2MnFeO4 is used.
Frequently Asked Questions
Common questions about Li2MnFeO4, answered from cross-validated data.
What is Li2MnFeO4?
Li2MnFeO4 is a semiconducting lithium-based transition-metal oxide currently being researched as a potential cathode material for high-performance battery technology.
What is Li2MnFeO4 used for?
What is the band gap of Li2MnFeO4?
Is Li2MnFeO4 a metal, semiconductor, or insulator?
Is Li2MnFeO4 thermodynamically stable?
What is the crystal structure of Li2MnFeO4?
What is the density of Li2MnFeO4?
How many polymorphs of Li2MnFeO4 are known?
What elements does Li2MnFeO4 contain?
Where does the data for Li2MnFeO4 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Within the diverse family of layered lithium transition-metal oxides, Li2MnFeO4 occupies a distinct niche compared to established industry standards like LiCoO2 or LiMn2O4. While LiCoO2 remains the benchmark for commercial stability, Li2MnFeO4 utilizes a mixed-metal approach to potentially reduce reliance on expensive cobalt, positioning it alongside complex variants like Li2MnO3 in the search for more sustainable and cost-effective cathode alternatives.
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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