Fe4Nb8O24
Fe4Nb8O24 is a stable, semiconducting iron-niobium oxide used in the study of oxygen-evolution catalysis.
About Fe4Nb8O24
Fe4Nb8O24 is a complex oxide that functions as a semiconductor, positioning it as an intriguing candidate for electrochemical applications. Its status as a stable phase on the convex hull suggests a robust structural framework capable of enduring the demanding conditions required for catalytic processes.
This material is primarily studied within the field of oxygen-evolution catalysts, where its electronic properties are leveraged to facilitate efficient reaction pathways. Its presence in multiple databases reflects its significance as a subject of ongoing experimental and computational investigation.
Key Properties
Cross-validated computational properties for Fe4Nb8O24, 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 Fe4Nb8O24, 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. |
|---|---|---|---|---|---|
| Pbcn (No. 60) | orthorhombic | 2.09 | 0.0000 | -9.225 | 5.39 |
| P2/c (No. 13) | monoclinic | 2.08 | 0.0413 | -9.184 | 4.82 |
| Pbcn (No. 60) | orthorhombic | 2.06 | 0.0417 | -9.184 | 4.82 |
| Pbcn (No. 60) | orthorhombic | 2.25 | 0.0995 | -9.126 | 4.55 |
| Pbcn (No. 60) | — | — | — | — | — |
| — | — | — | — | — | 4.82 |
| — | — | — | — | — | 4.82 |
| — | — | — | — | — | 4.82 |
| Pbcn (No. 60) | — | — | — | — | — |
| Pbcn (No. 60) | — | — | — | — | — |
Applications
Where Fe4Nb8O24 is used.
Frequently Asked Questions
Common questions about Fe4Nb8O24, answered from cross-validated data.
What is Fe4Nb8O24?
Fe4Nb8O24 is a stable, semiconducting iron-niobium oxide used in the study of oxygen-evolution catalysis.
What is Fe4Nb8O24 used for?
What is the band gap of Fe4Nb8O24?
Is Fe4Nb8O24 a metal, semiconductor, or insulator?
Is Fe4Nb8O24 thermodynamically stable?
What is the crystal structure of Fe4Nb8O24?
What is the density of Fe4Nb8O24?
How many polymorphs of Fe4Nb8O24 are known?
What elements does Fe4Nb8O24 contain?
Where does the data for Fe4Nb8O24 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Unlike the well-known layered battery materials such as LiCoO2 or LiNiO2, which are primarily optimized for ion intercalation, Fe4Nb8O24 is categorized specifically for its role in oxygen-evolution catalysis. While transition metal oxides like NiO or LaMnO3 are frequently cited for their catalytic activity, this iron-niobium oxide offers a distinct structural motif that differentiates it from the more common perovskite-based members of 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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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