Li2TiMnO4
Li2TiMnO4 is a semiconducting, metastable lithium transition-metal oxide investigated for its application in electrochemical energy storage devices.
About Li2TiMnO4
Li2TiMnO4 belongs to the class of layered lithium transition-metal oxides, characterized by a semiconducting electronic structure. As a metastable phase, it represents a complex arrangement of lithium, titanium, manganese, and oxygen atoms that offers unique structural pathways for ion mobility.
This compound is of significant interest in materials research due to its potential role as a cathode material in next-generation battery technologies. Its specific transition-metal composition allows for tunable electrochemical properties, making it a subject of ongoing investigation for high-capacity energy storage applications.
Key Properties
Cross-validated computational properties for Li2TiMnO4, 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 Li2TiMnO4, 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. |
|---|---|---|---|---|---|
| I-4m2 (No. 119) | tetragonal | 0.00 | 0.0726 | -7.755 | 3.79 |
| P2/m (No. 10) | monoclinic | 0.40 | 0.0795 | -7.748 | 3.81 |
| Imma (No. 74) | orthorhombic | 0.57 | 0.0806 | -7.747 | 3.79 |
| Imma (No. 74) | Orthorhombic | — | — | — | 3.79 |
| Imma (No. 74) | Orthorhombic | — | — | — | 3.91 |
| Imma (No. 74) | Orthorhombic | — | — | — | 3.99 |
| P2/m (No. 10) | Monoclinic | — | — | — | 3.81 |
| I-4m2 (No. 119) | Tetragonal | — | — | — | 3.79 |
| I-4m2 (No. 119) | Tetragonal | — | — | — | 4.00 |
| I-4m2 (No. 119) | Tetragonal | — | — | — | 3.96 |
| P2/m (No. 10) | Monoclinic | — | — | — | 4.02 |
| P2/m (No. 10) | Monoclinic | — | — | — | 3.94 |
Applications
Where Li2TiMnO4 is used.
Frequently Asked Questions
Common questions about Li2TiMnO4, answered from cross-validated data.
What is Li2TiMnO4?
Li2TiMnO4 is a semiconducting, metastable lithium transition-metal oxide investigated for its application in electrochemical energy storage devices.
What is Li2TiMnO4 used for?
What is the band gap of Li2TiMnO4?
Is Li2TiMnO4 a metal, semiconductor, or insulator?
Is Li2TiMnO4 thermodynamically stable?
What is the crystal structure of Li2TiMnO4?
What is the density of Li2TiMnO4?
How many polymorphs of Li2TiMnO4 are known?
What elements does Li2TiMnO4 contain?
Where does the data for Li2TiMnO4 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Within the diverse family of layered lithium transition-metal oxides, Li2TiMnO4 occupies a distinct niche compared to more conventional materials like LiCoO2 or LiMn2O4. While compounds like LiCoO2 are widely utilized for their stability and performance, Li2TiMnO4 is distinguished by its metastable nature and unique titanium-manganese framework, which differentiates its electrochemical behavior from the more established members of the class.
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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