Sr2CoO4
Sr2CoO4 is a stable semiconducting oxide material primarily utilized in the study and development of oxygen-evolution catalysts for electrochemical applications.
About Sr2CoO4
Sr2CoO4 is a semiconducting oxide that sits firmly on the thermodynamic convex hull, indicating high structural stability. As a member of the oxygen-evolution catalyst class, it provides a robust framework for investigating electron transfer processes during electrochemical water splitting.
This material is highly regarded in materials informatics due to its significant structural diversity, with numerous reported configurations across major databases. Its electronic properties make it a compelling candidate for researchers seeking to optimize catalytic activity in renewable energy conversion systems.
Key Properties
Cross-validated computational properties for Sr2CoO4, 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 Sr2CoO4. 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 Sr2CoO4, 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. |
|---|---|---|---|---|---|
| C2/m (No. 12) | monoclinic | 0.77 | 0.0000 | -6.678 | 5.25 |
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.0000 | -2.315 | — |
| Cmce (No. 64) | orthorhombic | 0.00 | 0.0001 | -11.926 | 5.52 |
| Cmce (No. 64) | orthorhombic | 0.50 | 0.0010 | -11.925 | 5.42 |
| P21 (No. 4) | monoclinic | 0.59 | 0.0036 | -6.674 | 5.23 |
| I4/mmm (No. 139) | tetragonal | 0.00 | 0.0039 | -2.311 | — |
| C2/m (No. 12) | monoclinic | 0.00 | 0.0072 | -6.671 | 5.23 |
| Ima2 (No. 46) | orthorhombic | 0.35 | 0.0086 | -11.918 | 5.50 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.0088 | -6.669 | 5.22 |
| I4/mmm (No. 139) | tetragonal | 0.00 | 0.0112 | -6.667 | 5.55 |
| — | — | 0.00 | 0.0174 | -2.220 | — |
| Pmmn (No. 59) | orthorhombic | 0.00 | 0.0182 | -6.660 | 5.23 |
Synthesis Routes
Literature-extracted synthesis procedures targeting Sr2CoO4.
Applications
Where Sr2CoO4 is used.
Frequently Asked Questions
Common questions about Sr2CoO4, answered from cross-validated data.
What is Sr2CoO4?
Sr2CoO4 is a stable semiconducting oxide material primarily utilized in the study and development of oxygen-evolution catalysts for electrochemical applications.
What is Sr2CoO4 used for?
What is the band gap of Sr2CoO4?
Is Sr2CoO4 a metal, semiconductor, or insulator?
Is Sr2CoO4 thermodynamically stable?
What is the crystal structure of Sr2CoO4?
How many polymorphs of Sr2CoO4 are known?
How is Sr2CoO4 synthesized?
What elements does Sr2CoO4 contain?
Where does the data for Sr2CoO4 come from?
How It Compares
Within the oxide oxygen-evolution catalysts class.
Within the diverse landscape of oxide catalysts, Sr2CoO4 occupies a distinct niche compared to perovskite-related siblings like La2NiO4 or LaMnO3. While many members of this class are optimized for specific battery or fuel cell applications, Sr2CoO4 is distinguished by its unique cobalt-based coordination environment which offers a different electronic pathway for oxygen evolution compared to the nickel- or manganese-based alternatives.
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.
Analyze Sr2CoO4 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →