Li4Ti3Mn5O16
Li4Ti3Mn5O16 is a metastable, semiconducting lithium transition-metal oxide used in advanced electrochemical research.
About Li4Ti3Mn5O16
Li4Ti3Mn5O16 is a complex layered lithium transition-metal oxide characterized by its semiconducting electronic nature. As a metastable phase, it represents a specialized configuration within the broader family of lithium-based oxides, offering unique structural pathways for ion mobility and redox activity.
This material is primarily investigated for its potential role in advanced electrochemical energy storage systems. Its specific arrangement of lithium, titanium, manganese, and oxygen atoms makes it a subject of interest for researchers aiming to optimize electrode performance and stability in next-generation battery technologies.
Key Properties
Cross-validated computational properties for Li4Ti3Mn5O16, 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 Li4Ti3Mn5O16, 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. |
|---|---|---|---|---|---|
| Cm (No. 8) | monoclinic | 0.30 | 0.0429 | -8.118 | 3.94 |
| Cm (No. 8) | — | — | — | — | — |
| Cm (No. 8) | Monoclinic | — | — | — | 4.25 |
| Cm (No. 8) | Monoclinic | — | — | — | 3.94 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.10 |
Applications
Where Li4Ti3Mn5O16 is used.
Frequently Asked Questions
Common questions about Li4Ti3Mn5O16, answered from cross-validated data.
What is Li4Ti3Mn5O16?
Li4Ti3Mn5O16 is a metastable, semiconducting lithium transition-metal oxide used in advanced electrochemical research.
What is Li4Ti3Mn5O16 used for?
What is the band gap of Li4Ti3Mn5O16?
Is Li4Ti3Mn5O16 a metal, semiconductor, or insulator?
Is Li4Ti3Mn5O16 thermodynamically stable?
What is the crystal structure of Li4Ti3Mn5O16?
What is the density of Li4Ti3Mn5O16?
How many polymorphs of Li4Ti3Mn5O16 are known?
What elements does Li4Ti3Mn5O16 contain?
Where does the data for Li4Ti3Mn5O16 come from?
How It Compares
Within the layered lithium transition-metal oxides class.
Within the diverse class of layered lithium transition-metal oxides, Li4Ti3Mn5O16 occupies a niche position compared to more conventional materials like LiCoO2 or LiMn2O4. While many of its siblings are widely utilized as commercial cathode materials, this compound is distinguished by its metastable state and complex multi-metal composition, positioning it as a focus for fundamental materials discovery rather than immediate industrial deployment.
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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