Ti3Mn5O16
Ti3Mn5O16 is a metastable, semiconducting oxide material utilized in the study of oxygen-evolution catalysis for electrochemical applications.
About Ti3Mn5O16
Ti3Mn5O16 is a complex ternary oxide that functions as a semiconducting material within the broader family of oxygen-evolution catalysts. Its electronic structure and metastable nature make it a subject of interest for researchers investigating efficient pathways for electrochemical water oxidation. The compound is characterized by a specific arrangement of titanium and manganese cations within an oxygen framework, which influences its catalytic behavior.
This oxide is primarily studied for its potential in energy conversion technologies where stable and active catalyst surfaces are required. By leveraging its semiconducting properties, scientists aim to optimize charge transfer processes during the oxygen-evolution reaction, contributing to the development of more sustainable electrochemical energy storage and conversion devices.
Key Properties
Cross-validated computational properties for Ti3Mn5O16, 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 Ti3Mn5O16, 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 | 1.27 | 0.0883 | -8.561 | 4.23 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.23 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.66 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.41 |
| Cm (No. 8) | — | — | — | — | — |
Applications
Where Ti3Mn5O16 is used.
Frequently Asked Questions
Common questions about Ti3Mn5O16, answered from cross-validated data.
What is Ti3Mn5O16?
Ti3Mn5O16 is a metastable, semiconducting oxide material utilized in the study of oxygen-evolution catalysis for electrochemical applications.
What is Ti3Mn5O16 used for?
What is the band gap of Ti3Mn5O16?
Is Ti3Mn5O16 a metal, semiconductor, or insulator?
Is Ti3Mn5O16 thermodynamically stable?
What is the crystal structure of Ti3Mn5O16?
What is the density of Ti3Mn5O16?
How many polymorphs of Ti3Mn5O16 are known?
What elements does Ti3Mn5O16 contain?
Where does the data for Ti3Mn5O16 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the diverse class of oxygen-evolution catalysts, Ti3Mn5O16 occupies a distinct niche compared to more conventional materials like LiMn2O4 or LaMnO3. While many members of this class are well-established, highly stable perovskites or spinel-structured oxides, Ti3Mn5O16 is recognized for its metastable state, offering a unique structural profile that differentiates it from the thermodynamic stability typically associated with common catalysts like NiO.
Related Compounds
Other Oxide Oxygen-Evolution Catalysts 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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