Li3Mn2O5
Li3Mn2O5 is a semiconducting lithium transition-metal oxide being studied for its potential as a functional material in advanced battery technologies.
About Li3Mn2O5
Li3Mn2O5 belongs to the class of layered lithium transition-metal oxides, a family of materials critical for modern electrochemical energy storage. This compound exhibits semiconducting electronic properties and is recognized for being near the thermodynamic hull, suggesting it is a viable candidate for experimental synthesis and characterization.
As a material of significant interest, its structural complexity is evidenced by numerous reported configurations across major materials databases. Its potential utility stems from the interplay between lithium mobility and the redox activity of the manganese centers within the layered framework.
Key Properties
Cross-validated computational properties for Li3Mn2O5, 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 Li3Mn2O5, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 1.00 | 0.0216 | -7.029 | 3.87 |
| P-1 (No. 2) | triclinic | 0.94 | 0.0227 | -7.028 | 3.86 |
| C2/m (No. 12) | monoclinic | 1.41 | 0.0228 | -7.028 | 3.87 |
| P-1 (No. 2) | triclinic | 0.96 | 0.0462 | -7.005 | 3.80 |
| C2/m (No. 12) | monoclinic | 1.00 | 0.0480 | -7.003 | 3.84 |
| P-1 (No. 2) | triclinic | 0.94 | 0.0502 | -7.001 | 3.81 |
| C2/m (No. 12) | monoclinic | 1.06 | 0.0512 | -7.000 | 3.80 |
| C2/m (No. 12) | monoclinic | 1.18 | 0.0533 | -6.998 | 3.83 |
| P-1 (No. 2) | triclinic | 1.37 | 0.0538 | -6.997 | 3.85 |
| C2/m (No. 12) | monoclinic | 1.17 | 0.0541 | -6.997 | 3.84 |
| P-1 (No. 2) | triclinic | 0.82 | 0.0581 | -6.993 | 3.85 |
| P-1 (No. 2) | triclinic | 0.67 | 0.0590 | -6.992 | 3.84 |
Applications
Where Li3Mn2O5 is used.
Frequently Asked Questions
Common questions about Li3Mn2O5, answered from cross-validated data.
What is Li3Mn2O5?
Li3Mn2O5 is a semiconducting lithium transition-metal oxide being studied for its potential as a functional material in advanced battery technologies.
What is Li3Mn2O5 used for?
What is the band gap of Li3Mn2O5?
Is Li3Mn2O5 a metal, semiconductor, or insulator?
Is Li3Mn2O5 thermodynamically stable?
What is the crystal structure of Li3Mn2O5?
What is the density of Li3Mn2O5?
How many polymorphs of Li3Mn2O5 are known?
What elements does Li3Mn2O5 contain?
Where does the data for Li3Mn2O5 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Within the diverse landscape of layered lithium transition-metal oxides, Li3Mn2O5 occupies a unique position compared to more established commercial cathodes like LiCoO2 or LiMn2O4. While LiCoO2 is the industry standard for stability and performance, Li3Mn2O5 offers a distinct manganese-rich stoichiometry that differentiates it from the structural behavior of Li2MnO3 or LiMnO2, providing researchers with a different pathway to tune 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.
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