Li3TiMn4O8
Li3TiMn4O8 is a semiconducting, metastable layered oxide used in the study of advanced lithium-ion battery electrode materials.
About Li3TiMn4O8
Li3TiMn4O8 belongs to the class of layered lithium transition-metal oxides, characterized by a semiconducting electronic structure. As a metastable compound, it represents a complex arrangement of lithium, titanium, manganese, and oxygen atoms that offers unique pathways for ion mobility within its crystal lattice. Its structural versatility makes it a subject of significant interest for researchers investigating next-generation electrode materials.
This compound is primarily studied for its potential in electrochemical energy storage applications. By leveraging the redox activity of its transition metal components, it serves as a platform for understanding how structural modifications influence the performance and stability of lithium-ion battery materials.
Key Properties
Cross-validated computational properties for Li3TiMn4O8, 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 Li3TiMn4O8, 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 | 0.60 | 0.0719 | -7.964 | 4.19 |
| P-1 (No. 2) | triclinic | 0.21 | 0.0731 | -7.963 | 4.21 |
| P-1 (No. 2) | triclinic | 0.14 | 0.0747 | -7.962 | 4.21 |
| P-1 (No. 2) | triclinic | 0.16 | 0.0761 | -7.960 | 4.22 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.0821 | -7.954 | 4.22 |
| P1 (No. 1) | — | — | — | — | — |
| P-1 (No. 2) | Triclinic | — | — | — | 4.21 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.39 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.21 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.38 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.22 |
| C2/m (No. 12) | — | — | — | — | — |
Applications
Where Li3TiMn4O8 is used.
Frequently Asked Questions
Common questions about Li3TiMn4O8, answered from cross-validated data.
What is Li3TiMn4O8?
Li3TiMn4O8 is a semiconducting, metastable layered oxide used in the study of advanced lithium-ion battery electrode materials.
What is Li3TiMn4O8 used for?
What is the band gap of Li3TiMn4O8?
Is Li3TiMn4O8 a metal, semiconductor, or insulator?
Is Li3TiMn4O8 thermodynamically stable?
What is the crystal structure of Li3TiMn4O8?
What is the density of Li3TiMn4O8?
How many polymorphs of Li3TiMn4O8 are known?
What elements does Li3TiMn4O8 contain?
Where does the data for Li3TiMn4O8 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Within the diverse family of layered lithium transition-metal oxides, Li3TiMn4O8 occupies a distinct niche compared to more conventional materials like LiCoO2 or LiMn2O4. While many of its siblings are optimized for commercial stability, this compound is noted for its metastable nature, which differentiates it from the highly stable LiAlO2 and provides a different structural framework for ion intercalation than the widely utilized LiNiO2.
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).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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