SrZnO2
SrZnO2 is a stable, semiconducting ternary oxide utilized in catalytic research and materials science.
About SrZnO2
SrZnO2 is a thermodynamically stable oxide that occupies a key position on the convex hull, indicating robust structural integrity. As a semiconducting material, it offers unique electronic properties that are highly valued in the development of functional catalytic systems. Its structural versatility is evidenced by the multiple reported phases identified across various materials databases. This compound serves as an important subject for researchers aiming to tune electronic behavior through composition control. Its stability makes it a reliable candidate for applications where long-term performance under demanding conditions is required. By leveraging its semiconducting nature, scientists can explore new pathways for surface-mediated reactions and energy conversion technologies.
Key Properties
Cross-validated computational properties for SrZnO2, 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 SrZnO2. 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 SrZnO2, 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. |
|---|---|---|---|---|---|
| — | — | 2.43 | 0.0000 | -2.297 | — |
| Pnma (No. 62) | orthorhombic | 2.39 | 0.0000 | -2.320 | — |
| Pnma (No. 62) | orthorhombic | 2.08 | 0.0000 | -5.647 | 5.57 |
| — | — | 2.39 | 0.0672 | -2.230 | — |
| — | — | 2.53 | 0.0676 | -2.230 | — |
| — | — | 1.62 | 0.1301 | -2.167 | — |
| — | — | 0.00 | 0.1527 | -2.145 | — |
| Pnma (No. 62) | orthorhombic | — | — | — | 5.67 |
| Pnma (No. 62) | orthorhombic | — | — | — | 5.56 |
| Pnma (No. 62) | orthorhombic | — | — | — | 5.37 |
| Pnma (No. 62) | orthorhombic | — | — | — | 5.52 |
Synthesis Routes
Literature-extracted synthesis procedures targeting SrZnO2.
Applications
Where SrZnO2 is used.
Frequently Asked Questions
Common questions about SrZnO2, answered from cross-validated data.
What is SrZnO2?
SrZnO2 is a stable, semiconducting ternary oxide utilized in catalytic research and materials science.
What is SrZnO2 used for?
What is the band gap of SrZnO2?
Is SrZnO2 a metal, semiconductor, or insulator?
Is SrZnO2 thermodynamically stable?
What is the crystal structure of SrZnO2?
How many polymorphs of SrZnO2 are known?
How is SrZnO2 synthesized?
What elements does SrZnO2 contain?
Where does the data for SrZnO2 come from?
How It Compares
Within the spinel oxide catalysts class.
Within the diverse family of spinel-related and binary oxides, SrZnO2 represents a more complex ternary arrangement compared to simpler binary oxides like ZnO or NiO. While materials like MgAl2O4 serve as classic structural benchmarks for the spinel class, SrZnO2 provides a distinct alternative by incorporating strontium, which alters the lattice dynamics and electronic environment relative to the transition metal-based perovskites such as LaMnO3 or LaNiO3.
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)
- 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)
- 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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