Li4MnFe3O8
Li4MnFe3O8 is a semiconducting lithium transition-metal oxide being researched for its potential use in energy storage applications.
About Li4MnFe3O8
Li4MnFe3O8 is a complex layered lithium transition-metal oxide characterized by its semiconducting electronic structure. As a near-hull stable material, it occupies a favorable position in the energy landscape, suggesting it is a viable candidate for experimental synthesis and structural investigation.
This compound is of significant interest in the field of energy storage materials where the integration of iron and manganese into a lithium-rich oxide framework is a key strategy. Its structural flexibility and potential for electrochemical activity make it a subject of ongoing study for next-generation cathode development.
Key Properties
Cross-validated computational properties for Li4MnFe3O8, 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 Li4MnFe3O8, 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/m (No. 12) | monoclinic | 1.10 | 0.0126 | -7.098 | 4.13 |
| P1 (No. 1) | triclinic | 0.63 | 0.0980 | -7.013 | 3.35 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.13 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.57 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.32 |
| P1 (No. 1) | Triclinic | — | — | — | 3.73 |
| P1 (No. 1) | Triclinic | — | — | — | 3.35 |
| R-3m (No. 166) | — | — | — | — | — |
| P1 (No. 1) | — | — | — | — | — |
| P1 (No. 1) | — | — | — | — | — |
| P1 (No. 1) | Triclinic | — | — | — | 3.62 |
Applications
Where Li4MnFe3O8 is used.
Frequently Asked Questions
Common questions about Li4MnFe3O8, answered from cross-validated data.
What is Li4MnFe3O8?
Li4MnFe3O8 is a semiconducting lithium transition-metal oxide being researched for its potential use in energy storage applications.
What is Li4MnFe3O8 used for?
What is the band gap of Li4MnFe3O8?
Is Li4MnFe3O8 a metal, semiconductor, or insulator?
Is Li4MnFe3O8 thermodynamically stable?
What is the crystal structure of Li4MnFe3O8?
What is the density of Li4MnFe3O8?
How many polymorphs of Li4MnFe3O8 are known?
What elements does Li4MnFe3O8 contain?
Where does the data for Li4MnFe3O8 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Within the diverse family of layered lithium transition-metal oxides, Li4MnFe3O8 serves as a specialized alternative to more traditional cathode materials like LiCoO2 or LiNiO2. While LiCoO2 is a standard benchmark, Li4MnFe3O8 offers a distinct chemical composition that balances iron and manganese, positioning it as a unique member compared to the well-characterized LiMn2O4 or Li2MnO3 structures.
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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