Li3TiMn2O6
Li3TiMn2O6 is a semiconducting, metastable layered oxide used in research for advanced lithium-ion battery electrode materials.
About Li3TiMn2O6
Li3TiMn2O6 is a complex layered lithium transition-metal oxide that exhibits semiconducting electronic behavior. As a metastable phase, it represents a unique structural arrangement within the broader family of lithium-based oxides, offering researchers a distinct platform for investigating ion mobility and structural evolution. Its composition, incorporating both titanium and manganese, allows for intricate coordination environments that influence its electrochemical potential. This compound is primarily utilized in academic and industrial research aimed at developing next-generation electrode materials for energy storage systems. By exploring its structural stability and electronic properties, scientists seek to optimize the performance and longevity of lithium-ion battery technologies.
Key Properties
Cross-validated computational properties for Li3TiMn2O6, aggregated across 2 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 Li3TiMn2O6, 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 | 0.56 | 0.0638 | -7.622 | 3.81 |
| Cm (No. 8) | monoclinic | 0.06 | 0.0706 | -7.615 | 3.82 |
| C2/m (No. 12) | monoclinic | 0.30 | 0.0723 | -7.614 | 3.82 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.0795 | -7.606 | 3.85 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.82 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.97 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.06 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.85 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.00 |
| Cm (No. 8) | Monoclinic | — | — | — | 3.82 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.10 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.05 |
Applications
Where Li3TiMn2O6 is used.
Frequently Asked Questions
Common questions about Li3TiMn2O6, answered from cross-validated data.
What is Li3TiMn2O6?
Li3TiMn2O6 is a semiconducting, metastable layered oxide used in research for advanced lithium-ion battery electrode materials.
What is Li3TiMn2O6 used for?
What is the band gap of Li3TiMn2O6?
Is Li3TiMn2O6 a metal, semiconductor, or insulator?
Is Li3TiMn2O6 thermodynamically stable?
What is the crystal structure of Li3TiMn2O6?
What is the density of Li3TiMn2O6?
How many polymorphs of Li3TiMn2O6 are known?
What elements does Li3TiMn2O6 contain?
Where does the data for Li3TiMn2O6 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Within the expansive class of layered lithium transition-metal oxides, Li3TiMn2O6 occupies a specialized niche compared to more conventional, highly stable cathode materials like LiCoO2 or LiNiO2. While compounds such as LiMn2O4 are widely recognized for their robust cycling performance, Li3TiMn2O6 serves as a metastable alternative that provides a different structural framework for lithium intercalation, distinguishing it from the more common binary and ternary transition-metal oxide systems.
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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