Fe2SiO4
Fayalite · Iron orthosilicate
Fayalite is a stable, insulating iron silicate mineral that serves as a key reference material in the study of complex oxide catalysts.
About Fayalite
Fe2SiO4 is a naturally occurring iron silicate that belongs to the olivine group of minerals. As a thermodynamically stable oxide, it sits on the convex hull, indicating robust structural integrity under standard conditions. Its electronic character is defined as a wide-band-gap insulator, which distinguishes it from many metallic or semi-conducting oxides typically utilized in electrochemical systems.
While often studied for its geological significance, its inclusion in the class of oxygen-evolution catalysts highlights its potential as a precursor or component in complex oxide systems. Its structural stability and well-documented polymorphic nature across multiple databases make it a foundational subject for researchers investigating iron-based mineral oxides in catalytic applications.
Key Properties
Cross-validated computational properties for Fayalite, aggregated across 4 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 Fe2SiO4, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 3.68 | 0.0000 | -8.324 | 4.47 |
| P21/c (No. 14) | monoclinic | 2.76 | 0.0056 | -8.318 | 4.23 |
| Fd-3m (No. 227) | cubic | 2.71 | 0.0386 | -8.285 | 4.68 |
| P3m1 (No. 156) | trigonal | 0.94 | 0.1690 | -8.155 | 4.54 |
| Imma (No. 74) | orthorhombic | 1.00 | 0.3985 | -7.925 | 4.82 |
| Pnma (No. 62) | — | — | — | — | — |
| Fd-3m (No. 227) | — | — | — | — | — |
| Fd-3m (No. 227) | Cubic | — | — | — | 4.68 |
| Fd-3m (No. 227) | Cubic | — | — | — | 5.14 |
| Fd-3m (No. 227) | Cubic | — | — | — | 4.93 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 4.24 |
| Pnma (No. 62) | Orthorhombic | — | — | — | 4.58 |
Synthesis Routes
Literature-extracted synthesis procedures targeting Fe2SiO4.
Applications
Where Fayalite is used.
Frequently Asked Questions
Common questions about Fayalite, answered from cross-validated data.
What is Fe2SiO4?
Fayalite is a stable, insulating iron silicate mineral that serves as a key reference material in the study of complex oxide catalysts.
What is Fe2SiO4 used for?
What is the band gap of Fe2SiO4?
Is Fe2SiO4 a metal, semiconductor, or insulator?
Is Fe2SiO4 thermodynamically stable?
What is the crystal structure of Fe2SiO4?
What is the density of Fe2SiO4?
How many polymorphs of Fe2SiO4 are known?
How is Fe2SiO4 synthesized?
What elements does Fe2SiO4 contain?
Where does the data for Fe2SiO4 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Unlike the highly conductive perovskite-structured oxides in its class such as LaNiO3 or LaMnO3, Fe2SiO4 functions as a wide-gap insulator. While compounds like LiCoO2 and LiNiO2 are optimized for high-performance ion transport and catalytic activity, Fe2SiO4 offers a distinct structural framework that provides a stable, non-metallic alternative for exploring fundamental oxygen-evolution mechanisms in iron-rich mineral systems.
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).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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