Li3MnFe3O8
Li3MnFe3O8 is a semiconducting layered lithium transition-metal oxide that is being studied for its potential applications in energy storage devices.
About Li3MnFe3O8
Li3MnFe3O8 belongs to the class of layered lithium transition-metal oxides, characterized by its semiconducting electronic nature. Its structural configuration and composition make it a noteworthy candidate within the broader family of lithium-based oxides used in electrochemical systems. Because it sits near the thermodynamic hull, it is considered a promising target for experimental synthesis and structural characterization. The material is currently being explored for its potential role in next-generation battery technologies where high-capacity transition metal oxides are essential. Its structural flexibility, supported by multiple reported configurations, suggests a complex landscape for ion transport and stability.
Key Properties
Cross-validated computational properties for Li3MnFe3O8, 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 Li3MnFe3O8, 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 | 1.64 | 0.0229 | -7.262 | 4.10 |
| C2/m (No. 12) | monoclinic | 0.34 | 0.0796 | -7.206 | 4.10 |
| P-1 (No. 2) | triclinic | 0.00 | 0.1852 | -7.100 | 4.07 |
| P63mc (No. 186) | hexagonal | 1.55 | 0.8309 | -6.454 | 4.30 |
| R-3m (No. 166) | Trigonal | — | — | — | 4.10 |
| R-3m (No. 166) | Trigonal | — | — | — | 4.40 |
| R-3m (No. 166) | Trigonal | — | — | — | 4.26 |
| R-3m (No. 166) | — | — | — | — | — |
| P-1 (No. 2) | Triclinic | — | — | — | 4.34 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.31 |
| C2/m (No. 12) | — | — | — | — | — |
| P-1 (No. 2) | Triclinic | — | — | — | 4.07 |
Applications
Where Li3MnFe3O8 is used.
Frequently Asked Questions
Common questions about Li3MnFe3O8, answered from cross-validated data.
What is Li3MnFe3O8?
Li3MnFe3O8 is a semiconducting layered lithium transition-metal oxide that is being studied for its potential applications in energy storage devices.
What is Li3MnFe3O8 used for?
What is the band gap of Li3MnFe3O8?
Is Li3MnFe3O8 a metal, semiconductor, or insulator?
Is Li3MnFe3O8 thermodynamically stable?
What is the crystal structure of Li3MnFe3O8?
What is the density of Li3MnFe3O8?
How many polymorphs of Li3MnFe3O8 are known?
What elements does Li3MnFe3O8 contain?
Where does the data for Li3MnFe3O8 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Compared to well-established cathode materials like LiCoO2 and LiNiO2, Li3MnFe3O8 offers a unique compositional profile by incorporating both manganese and iron into the layered framework. While LiMn2O4 is widely recognized for its spinel structure, Li3MnFe3O8 explores the layered arrangement common to high-performance oxides, positioning it as a distinct alternative to traditional lithium-manganese oxides like Li2MnO3 or LiMnO2 in the search for optimized electrochemical performance.
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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