FeSO6
FeSO6 is a semimetallic iron-based oxide being investigated for its potential role as a catalyst in oxygen-evolution reactions.
About FeSO6
FeSO6 is an iron-based oxide categorized within the oxygen-evolution catalyst class. Its electronic structure exhibits near-zero-gap behavior, positioning it as a semimetallic material of interest for electrochemical energy conversion research. Due to its high energy relative to the thermodynamic hull, this compound is considered metastable. It represents a complex chemical system that highlights the ongoing effort to design efficient catalysts for water splitting and related oxidation reactions.
Key Properties
Cross-validated computational properties for FeSO6, 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 FeSO6, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 0.03 | 0.6655 | -6.096 | 2.00 |
| No. 0 | unknown | — | — | — | 0.61 |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 5.08 |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 3.68 |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 3.70 |
Applications
Where FeSO6 is used.
Frequently Asked Questions
Common questions about FeSO6, answered from cross-validated data.
What is FeSO6?
FeSO6 is a semimetallic iron-based oxide being investigated for its potential role as a catalyst in oxygen-evolution reactions.
What is FeSO6 used for?
What is the band gap of FeSO6?
Is FeSO6 a metal, semiconductor, or insulator?
Is FeSO6 thermodynamically stable?
What is the crystal structure of FeSO6?
What is the density of FeSO6?
How many polymorphs of FeSO6 are known?
What elements does FeSO6 contain?
Where does the data for FeSO6 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Unlike the highly stable and widely utilized LiCoO2 or the perovskite-structured LaMnO3, FeSO6 exists in a metastable state that presents significant challenges for synthesis and long-term operational stability. While materials like NiO are standard benchmarks in the field, FeSO6 offers a unique electronic profile as a semimetallic oxide, distinguishing it from the more traditional semiconducting or insulating oxides in this 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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- mpaloe — Data from mpaloe.
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