Sr3Fe2O5
Sr3Fe2O5 is a semiconducting oxide material investigated for its potential role in catalyzing oxygen-evolution reactions.
About Sr3Fe2O5
Sr3Fe2O5 is a complex iron-based oxide that functions as a semiconducting material. Its structure and electronic properties place it within the category of oxygen-evolution catalysts, which are essential for driving efficient electrochemical reactions in energy storage and conversion systems.
As a near-hull stable compound, it is considered a viable candidate for experimental synthesis and characterization. Its potential utility lies in its ability to facilitate surface reactions, making it a relevant focus for researchers exploring new pathways for sustainable fuel production and electrochemical catalysis.
Key Properties
Cross-validated computational properties for Sr3Fe2O5, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of Sr3Fe2O5. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for Sr3Fe2O5, 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. |
|---|---|---|---|---|---|
| — | — | 0.61 | 0.0000 | -2.415 | — |
| Immm (No. 71) | orthorhombic | 0.00 | 0.0200 | -7.116 | 5.26 |
| Immm (No. 71) | orthorhombic | 0.00 | 0.0263 | -2.348 | — |
| — | — | 0.78 | 0.0786 | -2.336 | — |
| Cmmm (No. 65) | orthorhombic | 0.00 | 0.0818 | -7.054 | 5.14 |
| Cmmm (No. 65) | orthorhombic | — | — | — | 5.39 |
| Immm (No. 71) | orthorhombic | — | — | — | 5.33 |
| Cmmm (No. 65) | orthorhombic | — | — | — | 5.14 |
| Immm (No. 71) | orthorhombic | — | — | — | 5.29 |
| Cmmm (No. 65) | orthorhombic | — | — | — | 5.46 |
| Immm (No. 71) | orthorhombic | — | — | — | 5.01 |
Synthesis Routes
Literature-extracted synthesis procedures targeting Sr3Fe2O5.
Applications
Where Sr3Fe2O5 is used.
Frequently Asked Questions
Common questions about Sr3Fe2O5, answered from cross-validated data.
What is Sr3Fe2O5?
Sr3Fe2O5 is a semiconducting oxide material investigated for its potential role in catalyzing oxygen-evolution reactions.
What is Sr3Fe2O5 used for?
What is the band gap of Sr3Fe2O5?
Is Sr3Fe2O5 a metal, semiconductor, or insulator?
Is Sr3Fe2O5 thermodynamically stable?
What is the crystal structure of Sr3Fe2O5?
What is the density of Sr3Fe2O5?
How many polymorphs of Sr3Fe2O5 are known?
How is Sr3Fe2O5 synthesized?
What elements does Sr3Fe2O5 contain?
Where does the data for Sr3Fe2O5 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the diverse landscape of oxide oxygen-evolution catalysts, Sr3Fe2O5 occupies a distinct niche compared to well-established transition metal oxides like NiO or complex perovskites such as LaMnO3. While many of its class members are widely utilized in standard battery chemistries, Sr3Fe2O5 offers a unique structural configuration that differentiates it from the more common lithium-based oxides like LiCoO2 or LiMn2O4, providing an alternative platform for catalytic research.
Related Compounds
Other Oxide Oxygen-Evolution Catalysts in the database.
Data sources & attribution
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
Analyze Sr3Fe2O5 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →