SrFeO3
strontium ferrate · strontium iron oxide
SrFeO3 is a thermodynamically stable, metallic oxide that serves as a key material in the study and application of oxygen-evolution catalysts.
About strontium ferrate
SrFeO3 is a metallic oxide that stands out for its thermodynamic stability, sitting directly on the convex hull of its phase space. Its lack of a band gap defines its electronic character, facilitating efficient charge transport which is critical for its performance in electrochemical environments.
As a member of the oxide oxygen-evolution catalyst class, this material is highly valued for its structural robustness. Its ability to maintain stability while participating in complex redox reactions makes it a subject of significant interest for researchers developing next-generation energy conversion technologies.
Key Properties
Cross-validated computational properties for strontium ferrate, 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 SrFeO3. 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 SrFeO3, 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. |
|---|---|---|---|---|---|
| Pm-3m (No. 221) | cubic | 0.00 | 0.0000 | -7.224 | 5.66 |
| Pm-3m (No. 221) | cubic | 0.00 | 0.0000 | -2.248 | — |
| Pm-3m (No. 221) | cubic | 0.00 | 0.0000 | -2.248 | — |
| — | — | 0.00 | 0.0000 | -2.188 | — |
| — | — | 0.00 | 0.0007 | -2.188 | — |
| — | — | 0.00 | 0.0012 | -2.187 | — |
| — | — | 0.00 | 0.0012 | -2.187 | — |
| — | — | 0.00 | 0.0013 | -2.187 | — |
| — | — | 0.00 | 0.0015 | -2.187 | — |
| — | — | 0.00 | 0.0015 | -2.187 | — |
| — | — | 0.00 | 0.0019 | -2.186 | — |
| — | — | 0.00 | 0.0021 | -2.186 | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting SrFeO3.
Applications
Where strontium ferrate is used.
Frequently Asked Questions
Common questions about strontium ferrate, answered from cross-validated data.
What is SrFeO3?
SrFeO3 is a thermodynamically stable, metallic oxide that serves as a key material in the study and application of oxygen-evolution catalysts.
What is SrFeO3 used for?
What is the band gap of SrFeO3?
Is SrFeO3 a metal, semiconductor, or insulator?
Is SrFeO3 thermodynamically stable?
What is the crystal structure of SrFeO3?
What is the density of SrFeO3?
How many polymorphs of SrFeO3 are known?
How is SrFeO3 synthesized?
What elements does SrFeO3 contain?
Where does the data for SrFeO3 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the diverse family of oxygen-evolution catalysts, SrFeO3 distinguishes itself through its metallic conductivity, contrasting with many of the insulating or semiconducting oxides in the group. While materials like NiO and LiCoO2 are widely utilized for their specific catalytic activities and battery-related properties, SrFeO3 offers a unique electronic profile that complements the behavior of other perovskite-structured oxides such as LaNiO3 and LaMnO3.
Related Compounds
Other Oxide Oxygen-Evolution Catalysts in the database.
Data sources & attribution
- 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)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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