Fe4SiO9
Fe4SiO9 is a semimetallic iron silicate oxide investigated for its potential role in electrochemical oxygen-evolution processes.
About Fe4SiO9
Fe4SiO9 is a complex iron silicate oxide that functions as a semimetallic material. Its near-zero-gap electronic character makes it an intriguing subject for research into conductive oxide catalysts for electrochemical energy conversion.
Due to its position above the thermodynamic hull, this compound is considered metastable, which presents unique challenges and opportunities for synthesis. It is primarily studied within the context of oxygen-evolution catalysts where iron-based systems are sought for their potential cost-effectiveness.
Key Properties
Cross-validated computational properties for Fe4SiO9, 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 Fe4SiO9, 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 (No. 4) | monoclinic | 0.00 | 0.1988 | -7.710 | 3.38 |
| P1 (No. 1) | triclinic | 0.09 | 0.2005 | -7.709 | 3.56 |
| P31 (No. 144) | trigonal | 0.03 | 0.2018 | -7.707 | 3.42 |
| R3 (No. 146) | trigonal | 0.00 | 0.2021 | -7.707 | 3.50 |
| P1 (No. 1) | Triclinic | — | — | — | 3.56 |
| P1 (No. 1) | Triclinic | — | — | — | 3.82 |
| P21 (No. 4) | — | — | — | — | — |
| P1 (No. 1) | Triclinic | — | — | — | 4.07 |
Applications
Where Fe4SiO9 is used.
Frequently Asked Questions
Common questions about Fe4SiO9, answered from cross-validated data.
What is Fe4SiO9?
Fe4SiO9 is a semimetallic iron silicate oxide investigated for its potential role in electrochemical oxygen-evolution processes.
What is Fe4SiO9 used for?
What is the band gap of Fe4SiO9?
Is Fe4SiO9 a metal, semiconductor, or insulator?
Is Fe4SiO9 thermodynamically stable?
What is the crystal structure of Fe4SiO9?
What is the density of Fe4SiO9?
How many polymorphs of Fe4SiO9 are known?
What elements does Fe4SiO9 contain?
Where does the data for Fe4SiO9 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Unlike the highly stable and widely utilized battery cathode materials like LiCoO2 or LiMn2O4, Fe4SiO9 is a more exotic, metastable phase. While perovskite-structured oxides such as LaMnO3 and BiFeO3 are well-established in catalytic research, Fe4SiO9 represents a more unconventional structural arrangement that requires careful synthetic control to maintain its phase integrity.
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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