Li5Ti2Mn5O12
Li5Ti2Mn5O12 is a metastable semiconducting lithium transition-metal oxide used in the study of advanced battery materials.
About Li5Ti2Mn5O12
Li5Ti2Mn5O12 is a complex layered lithium transition-metal oxide composed of lithium, titanium, manganese, and oxygen. As a semiconducting material, it represents a specialized configuration within the broader family of lithium-based oxides used in electrochemical energy storage systems.
This compound exists in a metastable state, making it a focus for researchers investigating phase stability and structural evolution in battery cathodes. Its multi-element composition allows for unique electronic properties that distinguish it from simpler binary or ternary oxides.
Key Properties
Cross-validated computational properties for Li5Ti2Mn5O12, 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 Li5Ti2Mn5O12, 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 (No. 5) | monoclinic | 0.13 | 0.0601 | -7.907 | 4.11 |
| C2 (No. 5) | Monoclinic | — | — | — | 4.11 |
| C2 (No. 5) | Monoclinic | — | — | — | 4.28 |
| C2 (No. 5) | Monoclinic | — | — | — | 4.38 |
| C2 (No. 5) | — | — | — | — | — |
Applications
Where Li5Ti2Mn5O12 is used.
Frequently Asked Questions
Common questions about Li5Ti2Mn5O12, answered from cross-validated data.
What is Li5Ti2Mn5O12?
Li5Ti2Mn5O12 is a metastable semiconducting lithium transition-metal oxide used in the study of advanced battery materials.
What is Li5Ti2Mn5O12 used for?
What is the band gap of Li5Ti2Mn5O12?
Is Li5Ti2Mn5O12 a metal, semiconductor, or insulator?
Is Li5Ti2Mn5O12 thermodynamically stable?
What is the crystal structure of Li5Ti2Mn5O12?
What is the density of Li5Ti2Mn5O12?
How many polymorphs of Li5Ti2Mn5O12 are known?
What elements does Li5Ti2Mn5O12 contain?
Where does the data for Li5Ti2Mn5O12 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Within the diverse class of layered lithium transition-metal oxides, Li5Ti2Mn5O12 occupies a niche position compared to widely commercialized standards like LiCoO2 or LiMn2O4. While those materials are often prized for their high structural stability and well-understood intercalation pathways, this complex titanium-manganese variant offers a different structural landscape that challenges traditional design paradigms in the search for high-performance electrode materials.
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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