SrCoO3
Strontium cobaltite · SrCoO3-delta
SrCoO3 is a metallic strontium cobalt oxide used primarily as a catalyst for oxygen-evolution reactions in electrochemical energy devices.
About Strontium cobaltite
Strontium cobaltite is a metallic oxide that functions as a highly active catalyst for the oxygen-evolution reaction. Its electronic structure, characterized by a lack of a band gap, facilitates rapid charge transfer, which is essential for efficient electrochemical processes.
Due to its near-hull thermodynamic stability, this compound is considered a viable target for synthesis and integration into energy conversion systems. It serves as a critical material for researchers aiming to improve the kinetics of water splitting and other sustainable energy technologies.
Key Properties
Cross-validated computational properties for Strontium cobaltite, 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 SrCoO3. 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 SrCoO3, 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 | 0.0000 | -1.942 | — |
| Pm-3m (No. 221) | cubic | 0.00 | 0.0000 | -1.960 | — |
| — | — | 0.00 | 0.0065 | -1.936 | — |
| Pm-3m (No. 221) | cubic | 0.00 | 0.0167 | -1.943 | — |
| P4/mbm (No. 127) | tetragonal | 0.00 | 0.0183 | -6.715 | 5.72 |
| P4/mmm (No. 123) | tetragonal | 0.00 | 0.0353 | -6.698 | 5.57 |
| — | — | 0.00 | 0.0383 | -1.904 | — |
| Amm2 (No. 38) | orthorhombic | 0.00 | 0.0396 | -6.694 | 5.49 |
| — | — | 0.00 | 0.0412 | -1.901 | — |
| — | — | 0.00 | 0.0628 | -1.880 | — |
| — | — | 0.00 | 0.0655 | -1.877 | — |
| — | — | 0.00 | 0.0697 | -1.873 | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting SrCoO3.
Applications
Where Strontium cobaltite is used.
Frequently Asked Questions
Common questions about Strontium cobaltite, answered from cross-validated data.
What is SrCoO3?
SrCoO3 is a metallic strontium cobalt oxide used primarily as a catalyst for oxygen-evolution reactions in electrochemical energy devices.
What is SrCoO3 used for?
What is the band gap of SrCoO3?
Is SrCoO3 a metal, semiconductor, or insulator?
Is SrCoO3 thermodynamically stable?
What is the crystal structure of SrCoO3?
How many polymorphs of SrCoO3 are known?
How is SrCoO3 synthesized?
What elements does SrCoO3 contain?
Where does the data for SrCoO3 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the diverse family of oxide oxygen-evolution catalysts, SrCoO3 distinguishes itself through its metallic character, contrasting with the insulating or semiconducting nature of many transition metal oxides like NiO or BiFeO3. While materials such as LaNiO3 share a similar metallic profile, SrCoO3 is frequently studied for its unique cobalt-based coordination environment which offers distinct catalytic advantages over manganese or nickel-based counterparts like LiMn2O4.
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)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
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