SrCrO2
SrCrO2 is a metastable, semiconducting oxide material utilized in the study of advanced catalytic processes.
About SrCrO2
SrCrO2 is a semiconducting oxide that belongs to the broader family of spinel-related materials. As a metastable compound, it represents a specialized structural configuration that offers unique electronic pathways for surface-mediated chemical reactions. Its composition of strontium, chromium, and oxygen allows for complex interactions that are of significant interest in materials science research. Because of its electronic character, it is investigated for its potential to facilitate charge transfer processes in catalytic environments. The material is particularly noted for its structural diversity, with numerous reported phases that highlight the sensitivity of its lattice to synthesis conditions.
Key Properties
Cross-validated computational properties for SrCrO2, 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 SrCrO2. 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 SrCrO2, 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. |
|---|---|---|---|---|---|
| — | — | 0.69 | 0.0019 | -2.579 | — |
| — | — | 0.78 | 0.0030 | -2.578 | — |
| P4/mmm (No. 123) | tetragonal | 0.00 | 0.0345 | -7.857 | 4.99 |
| Cmmm (No. 65) | orthorhombic | 1.34 | 0.0486 | -7.843 | 4.95 |
| P4/mmm (No. 123) | tetragonal | 0.00 | 0.1002 | -2.346 | — |
| — | — | 0.00 | 0.3920 | -2.189 | — |
| P-1 (No. 2) | triclinic | — | — | — | 4.03 |
| Cmmm (No. 65) | orthorhombic | — | — | — | 4.95 |
| P-1 (No. 2) | triclinic | — | — | — | 2.62 |
| Cmmm (No. 65) | orthorhombic | — | — | — | 5.13 |
| Cmmm (No. 65) | orthorhombic | — | — | — | 5.24 |
| P4/mmm (No. 123) | tetragonal | — | — | — | 5.22 |
Applications
Where SrCrO2 is used.
Frequently Asked Questions
Common questions about SrCrO2, answered from cross-validated data.
What is SrCrO2?
SrCrO2 is a metastable, semiconducting oxide material utilized in the study of advanced catalytic processes.
What is SrCrO2 used for?
What is the band gap of SrCrO2?
Is SrCrO2 a metal, semiconductor, or insulator?
Is SrCrO2 thermodynamically stable?
What is the crystal structure of SrCrO2?
What is the density of SrCrO2?
How many polymorphs of SrCrO2 are known?
What elements does SrCrO2 contain?
Where does the data for SrCrO2 come from?
How It Compares
Within the spinel oxide catalysts class.
Within the diverse group of spinel and transition metal oxide catalysts, SrCrO2 occupies a distinct niche compared to more common, highly stable oxides like MgAl2O4 or simple binary oxides such as ZnO and NiO. While materials like LaMnO3 or LaNiO3 are frequently utilized for their robust perovskite-based catalytic activity, SrCrO2 provides a different structural framework that challenges traditional stability paradigms, making it a subject of interest for researchers seeking to tune catalytic performance through metastable phase engineering.
Related Compounds
Other Spinel Oxide 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.
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