TiMn5O12
TiMn5O12 is a metastable semiconducting oxide utilized primarily as a catalyst for oxygen-evolution reactions.
About TiMn5O12
TiMn5O12 is a semiconducting oxide that functions as a specialized material for oxygen-evolution catalysis. Its metastable nature makes it a subject of significant interest for researchers aiming to tune catalytic activity through structural manipulation in electrochemical systems. The compound plays a niche role in the broader landscape of transition metal oxides. By leveraging its electronic properties, it serves as a platform for studying charge transfer mechanisms essential for efficient water splitting and energy conversion technologies.
Key Properties
Cross-validated computational properties for TiMn5O12, 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 TiMn5O12, 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/m (No. 12) | monoclinic | 1.43 | 0.0697 | -8.316 | 3.93 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.93 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.37 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.10 |
| C2/m (No. 12) | — | — | — | — | — |
Applications
Where TiMn5O12 is used.
Frequently Asked Questions
Common questions about TiMn5O12, answered from cross-validated data.
What is TiMn5O12?
TiMn5O12 is a metastable semiconducting oxide utilized primarily as a catalyst for oxygen-evolution reactions.
What is TiMn5O12 used for?
What is the band gap of TiMn5O12?
Is TiMn5O12 a metal, semiconductor, or insulator?
Is TiMn5O12 thermodynamically stable?
What is the crystal structure of TiMn5O12?
What is the density of TiMn5O12?
How many polymorphs of TiMn5O12 are known?
What elements does TiMn5O12 contain?
Where does the data for TiMn5O12 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the diverse class of oxygen-evolution catalysts, TiMn5O12 represents a more complex, metastable alternative to well-established systems like LiMn2O4 or NiO. While many of its peers, such as LaMnO3 or LaNiO3, are characterized by their robust perovskite frameworks, TiMn5O12 provides a distinct structural arrangement that challenges conventional stability paradigms in catalytic material design.
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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