SrAl4O7
SrAl4O7 is a stable, wide-gap insulating aluminate oxide used in high-performance catalytic and ceramic applications.
About SrAl4O7
SrAl4O7 is a thermodynamically stable oxide that occupies a position on the convex hull, indicating robust structural integrity. As a wide-gap insulator, it serves as a foundational material within the broader family of complex aluminates and spinel-related oxides. Its electronic character makes it a candidate for applications where high-temperature stability and insulating performance are critical requirements. The material is well-documented in structural databases, reflecting its significance in materials science research. It is primarily utilized in advanced catalytic frameworks and as a structural component in high-performance ceramic systems where chemical inertness is essential.
Key Properties
Cross-validated computational properties for SrAl4O7, 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 SrAl4O7. 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 SrAl4O7, 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. |
|---|---|---|---|---|---|
| — | — | 4.05 | 0.0000 | -3.305 | — |
| C2/c (No. 15) | monoclinic | 3.75 | 0.0000 | -7.740 | 3.25 |
| C2/c (No. 15) | monoclinic | 4.00 | 0.0140 | -3.318 | — |
| — | — | 4.38 | 0.0824 | -3.222 | — |
| Cmme (No. 67) | orthorhombic | 3.23 | 0.1352 | -7.605 | 3.36 |
| — | — | 3.59 | 0.1377 | -3.167 | — |
| Cmme (No. 67) | orthorhombic | 3.38 | 0.1417 | -3.191 | — |
| C2/c (No. 15) | monoclinic | — | — | — | 3.27 |
| C2/c (No. 15) | monoclinic | — | — | — | 3.33 |
| Cmme (No. 67) | orthorhombic | — | — | — | 3.46 |
| C2/c (No. 15) | monoclinic | — | — | — | 3.16 |
| Cmme (No. 67) | orthorhombic | — | — | — | 3.56 |
Synthesis Routes
Literature-extracted synthesis procedures targeting SrAl4O7.
Applications
Where SrAl4O7 is used.
Frequently Asked Questions
Common questions about SrAl4O7, answered from cross-validated data.
What is SrAl4O7?
SrAl4O7 is a stable, wide-gap insulating aluminate oxide used in high-performance catalytic and ceramic applications.
What is SrAl4O7 used for?
What is the band gap of SrAl4O7?
Is SrAl4O7 a metal, semiconductor, or insulator?
Is SrAl4O7 thermodynamically stable?
What is the crystal structure of SrAl4O7?
What is the density of SrAl4O7?
How many polymorphs of SrAl4O7 are known?
How is SrAl4O7 synthesized?
What elements does SrAl4O7 contain?
Where does the data for SrAl4O7 come from?
How It Compares
Within the spinel oxide catalysts class.
Within the diverse class of spinel and transition metal oxides, SrAl4O7 stands out for its insulating nature, contrasting sharply with the semi-conducting or metallic behavior seen in siblings like CuO or LaNiO3. While materials like MgAl2O4 represent the archetypal spinel structure, SrAl4O7 offers a distinct structural configuration that provides unique catalytic support properties compared to simpler oxides like Al2O3 or ZnO.
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)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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