Sr2CoO3
Sr2CoO3 is a semiconducting cobalt-strontium oxide that is studied for its potential role in oxygen-evolution catalytic applications.
About Sr2CoO3
Sr2CoO3 is a semiconducting oxide compound within the broader category of oxygen-evolution catalysts. Its composition, featuring strontium and cobalt, places it in a class of materials frequently scrutinized for their potential in electrochemical energy conversion processes.
Despite its status as a metastable phase located above the thermodynamic hull, the compound remains a subject of interest in materials science. Researchers utilize its structural data to better understand the complex interplay between transition metal oxides and catalytic efficiency.
Key Properties
Cross-validated computational properties for Sr2CoO3, 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 Sr2CoO3. 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 Sr2CoO3, 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. |
|---|---|---|---|---|---|
| — | — | 0.92 | 0.0185 | -2.363 | — |
| I4/mmm (No. 139) | tetragonal | 1.40 | 0.1951 | -6.506 | 5.07 |
| C2/m (No. 12) | monoclinic | 0.63 | 0.2411 | -6.460 | 3.46 |
| I4/mmm (No. 139) | tetragonal | 0.00 | 0.3315 | -2.053 | — |
| I4/mmm (No. 139) | tetragonal | — | — | — | 5.28 |
| I4/mmm (No. 139) | tetragonal | — | — | — | 5.07 |
| C2/m (No. 12) | monoclinic | — | — | — | 3.41 |
| I4/mmm (No. 139) | tetragonal | — | — | — | 5.22 |
Applications
Where Sr2CoO3 is used.
Frequently Asked Questions
Common questions about Sr2CoO3, answered from cross-validated data.
What is Sr2CoO3?
Sr2CoO3 is a semiconducting cobalt-strontium oxide that is studied for its potential role in oxygen-evolution catalytic applications.
What is Sr2CoO3 used for?
What is the band gap of Sr2CoO3?
Is Sr2CoO3 a metal, semiconductor, or insulator?
Is Sr2CoO3 thermodynamically stable?
What is the crystal structure of Sr2CoO3?
What is the density of Sr2CoO3?
How many polymorphs of Sr2CoO3 are known?
What elements does Sr2CoO3 contain?
Where does the data for Sr2CoO3 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the diverse family of oxygen-evolution catalysts, Sr2CoO3 occupies a distinct position compared to more stable, widely utilized oxides like LiCoO2 or LaMnO3. While many of its siblings are characterized by their robust thermodynamic stability and industrial prevalence, Sr2CoO3 represents a more challenging, metastable phase that requires careful synthesis and characterization to explore its unique electronic properties.
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.
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
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