SrFeO2
SrFeO2 is a stable semiconducting oxide material utilized in the study and development of oxygen-evolution catalysts.
About SrFeO2
SrFeO2 is a semiconducting oxide that sits firmly on the thermodynamic convex hull, indicating significant structural stability. As a member of the oxygen-evolution catalyst class, it provides a robust framework for investigating electrochemical processes where efficient oxygen production is critical.
Its electronic character makes it an intriguing candidate for catalytic applications that require stable charge transfer pathways. Given its presence in multiple structural databases, it represents a well-characterized material system for researchers aiming to optimize catalytic performance in energy conversion devices.
Key Properties
Cross-validated computational properties for SrFeO2, 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 SrFeO2. 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 SrFeO2, 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. |
|---|---|---|---|---|---|
| — | — | 0.00 | 0.0018 | -2.268 | — |
| — | — | 1.87 | 0.0119 | -2.257 | — |
| P4/mmm (No. 123) | tetragonal | 0.00 | 0.0136 | -7.306 | 5.34 |
| P4/mmm (No. 123) | tetragonal | 0.00 | 0.0222 | -2.189 | — |
| P4/mmm (No. 123) | tetragonal | 0.00 | 0.0390 | -2.172 | — |
| — | — | 0.64 | 0.2116 | -2.058 | — |
| P4/mmm (No. 123) | tetragonal | — | — | — | 5.26 |
| P4/mmm (No. 123) | tetragonal | — | — | — | 5.37 |
| P4/mmm (No. 123) | tetragonal | — | — | — | 5.07 |
| P4/mmm (No. 123) | tetragonal | — | — | — | 5.48 |
| P4/mmm (No. 123) | tetragonal | — | — | — | 5.34 |
| P4/mmm (No. 123) | tetragonal | — | — | — | 5.34 |
Synthesis Routes
Literature-extracted synthesis procedures targeting SrFeO2.
Applications
Where SrFeO2 is used.
Frequently Asked Questions
Common questions about SrFeO2, answered from cross-validated data.
What is SrFeO2?
SrFeO2 is a stable semiconducting oxide material utilized in the study and development of oxygen-evolution catalysts.
What is SrFeO2 used for?
What is the band gap of SrFeO2?
Is SrFeO2 a metal, semiconductor, or insulator?
Is SrFeO2 thermodynamically stable?
What is the crystal structure of SrFeO2?
What is the density of SrFeO2?
How many polymorphs of SrFeO2 are known?
How is SrFeO2 synthesized?
What elements does SrFeO2 contain?
Where does the data for SrFeO2 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the diverse family of oxygen-evolution catalysts, SrFeO2 occupies a distinct niche compared to complex transition metal oxides like LiCoO2 or LaMnO3. While many of its class members, such as the layered La2NiO4 or the perovskite-related BiFeO3, are frequently explored for their specific magnetic or ionic transport properties, SrFeO2 is notable for its stability and semiconducting nature, which differentiates it from more metallic or highly insulating counterparts in the group.
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)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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