Fe2O6Ti2
Fe2O6Ti2 is a stable, semiconducting oxide material utilized primarily in the development of efficient oxygen-evolution catalysts.
About Fe2O6Ti2
Fe2O6Ti2 is a semiconducting oxide that sits firmly on the thermodynamic convex hull, indicating high stability. As a member of the oxygen-evolution catalyst family, it leverages its electronic structure to facilitate complex electrochemical reactions essential for energy conversion technologies. The material is characterized by a high degree of structural diversity, with numerous reported configurations that highlight its versatility in solid-state chemistry. Its stability makes it a compelling candidate for research into durable, efficient catalysts that can withstand demanding operational environments. By providing a robust framework for charge transfer, this compound serves as a critical building block for advancing sustainable energy systems.
Key Properties
Cross-validated computational properties for Fe2O6Ti2, 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 Fe2O6Ti2, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 2.25 | 0.0000 | -8.972 | 4.60 |
| R-3 (No. 148) | trigonal | 2.74 | 0.0120 | -8.960 | 4.91 |
| R3c (No. 161) | trigonal | 2.05 | 0.0318 | -8.940 | 4.93 |
| Pnma (No. 62) | orthorhombic | 1.58 | 0.0718 | -8.900 | 4.83 |
| P-1 (No. 2) | triclinic | 2.59 | 0.0752 | -8.896 | 3.11 |
| Cmcm (No. 63) | orthorhombic | 1.64 | 0.1231 | -8.848 | 4.96 |
| P1 (No. 1) | triclinic | 0.00 | 0.7154 | -8.256 | 4.64 |
| I4/mcm (No. 140) | — | — | — | — | — |
| R-3 (No. 148) | — | — | — | — | — |
| R-3 (No. 148) | — | — | — | — | — |
| R-3 (No. 148) | — | — | — | — | — |
| R-3c (No. 167) | — | — | — | — | — |
Applications
Where Fe2O6Ti2 is used.
Frequently Asked Questions
Common questions about Fe2O6Ti2, answered from cross-validated data.
What is Fe2O6Ti2?
Fe2O6Ti2 is a stable, semiconducting oxide material utilized primarily in the development of efficient oxygen-evolution catalysts.
What is Fe2O6Ti2 used for?
What is the band gap of Fe2O6Ti2?
Is Fe2O6Ti2 a metal, semiconductor, or insulator?
Is Fe2O6Ti2 thermodynamically stable?
What is the crystal structure of Fe2O6Ti2?
What is the density of Fe2O6Ti2?
How many polymorphs of Fe2O6Ti2 are known?
What elements does Fe2O6Ti2 contain?
Where does the data for Fe2O6Ti2 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the class of oxygen-evolution catalysts, Fe2O6Ti2 occupies a distinct niche compared to transition metal oxides like NiO or perovskites such as BiFeO3. While many members of this group, including LiCoO2 and LaMnO3, are widely utilized for their specific intercalation or magnetic properties, Fe2O6Ti2 is distinguished by its unique stoichiometry and inherent thermodynamic stability. It offers a different structural pathway for catalytic activity, providing an alternative to the more common layered or perovskite architectures found elsewhere in the class.
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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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