Ti3MnO8
Ti3MnO8 is a semiconducting oxide compound studied for its potential role as a catalyst in oxygen-evolution reactions.
About Ti3MnO8
Ti3MnO8 is a complex oxide categorized within the oxygen-evolution catalyst class. As a semiconducting material, it represents an interesting candidate for electrochemical studies, though its current status as a metastable phase suggests it may require specific synthesis conditions to stabilize its structure. The material has been documented across multiple structural databases, reflecting ongoing interest in its potential catalytic behavior. Its electronic character positions it as a subject of investigation for those exploring non-traditional oxide catalysts in energy conversion processes. While it remains a niche material compared to more common oxides, its unique elemental composition of titanium and manganese provides a distinct platform for studying oxygen-evolution mechanisms.
Key Properties
Cross-validated computational properties for Ti3MnO8, 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 Ti3MnO8, 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. |
|---|---|---|---|---|---|
| P63mc (No. 186) | hexagonal | 1.82 | 0.1031 | -9.020 | 3.99 |
| P63mc (No. 186) | Hexagonal | — | — | — | 3.99 |
| P63mc (No. 186) | Hexagonal | — | — | — | 4.25 |
| P63mc (No. 186) | Hexagonal | — | — | — | 4.09 |
| P63mc (No. 186) | — | — | — | — | — |
Applications
Where Ti3MnO8 is used.
Frequently Asked Questions
Common questions about Ti3MnO8, answered from cross-validated data.
What is Ti3MnO8?
Ti3MnO8 is a semiconducting oxide compound studied for its potential role as a catalyst in oxygen-evolution reactions.
What is Ti3MnO8 used for?
What is the band gap of Ti3MnO8?
Is Ti3MnO8 a metal, semiconductor, or insulator?
Is Ti3MnO8 thermodynamically stable?
What is the crystal structure of Ti3MnO8?
What is the density of Ti3MnO8?
How many polymorphs of Ti3MnO8 are known?
What elements does Ti3MnO8 contain?
Where does the data for Ti3MnO8 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the broader family of oxygen-evolution catalysts, Ti3MnO8 occupies a different space than well-established transition metal oxides like NiO or LaMnO3. While many of its class members are thermodynamically stable and widely utilized in commercial applications, Ti3MnO8 is characterized by its metastable nature, placing it in a category of exploratory materials that contrast with the highly stable, extensively characterized structures like LiCoO2 or BiFeO3.
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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