AlAgO2
AlAgO2 is a stable, semiconducting ternary oxide used in research for its potential as a specialized catalyst.
About AlAgO2
AlAgO2 is a distinct semiconducting oxide that occupies a stable position on the thermodynamic convex hull. As a member of the spinel-related oxide family, it exhibits structural characteristics that make it a subject of significant interest for researchers investigating complex metal-oxide systems. Its electronic nature suggests potential utility in specialized catalytic processes where charge transport and surface reactivity are critical. The material is well-documented in structural databases, reflecting its importance in materials science research. It serves as a platform for understanding how silver and aluminum cations interact within an oxygen framework to influence catalytic performance. Its stability ensures that it maintains its structural integrity under various processing conditions, providing a reliable foundation for experimental studies in heterogeneous catalysis.
Key Properties
Cross-validated computational properties for AlAgO2, 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 AlAgO2. 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 AlAgO2, 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. |
|---|---|---|---|---|---|
| P63/mmc (No. 194) | hexagonal | 1.67 | 0.0000 | -2.193 | — |
| — | — | 1.61 | 0.0000 | -2.174 | — |
| P63/mmc (No. 194) | hexagonal | 1.42 | 0.0000 | -6.426 | 6.31 |
| — | — | 1.56 | 0.0007 | -2.174 | — |
| — | — | 1.61 | 0.0008 | -2.174 | — |
| Pna21 (No. 33) | orthorhombic | 0.83 | 0.0644 | -6.362 | 5.24 |
| — | — | 1.04 | 0.0662 | -2.108 | — |
| — | — | 0.94 | 0.0674 | -2.107 | — |
| — | — | 0.94 | 0.0689 | -2.106 | — |
| — | — | 1.25 | 0.0732 | -2.101 | — |
| R3m (No. 160) | trigonal | 1.06 | 0.0814 | -6.345 | 6.22 |
| R3m (No. 160) | trigonal | 1.24 | 0.0860 | -2.107 | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting AlAgO2.
Applications
Where AlAgO2 is used.
Frequently Asked Questions
Common questions about AlAgO2, answered from cross-validated data.
What is AlAgO2?
AlAgO2 is a stable, semiconducting ternary oxide used in research for its potential as a specialized catalyst.
What is AlAgO2 used for?
What is the band gap of AlAgO2?
Is AlAgO2 a metal, semiconductor, or insulator?
Is AlAgO2 thermodynamically stable?
What is the crystal structure of AlAgO2?
How many polymorphs of AlAgO2 are known?
How is AlAgO2 synthesized?
What elements does AlAgO2 contain?
Where does the data for AlAgO2 come from?
How It Compares
Within the spinel oxide catalysts class.
Unlike the simple binary oxides such as ZnO or NiO, AlAgO2 offers a more intricate ternary framework that allows for greater tunability of its catalytic properties. While it shares the spinel-related classification with materials like MgAl2O4, AlAgO2 incorporates noble metal character, which differentiates its surface activity from the more conventional, insulating spinel structures found in the broader class.
Related Compounds
Other Spinel Oxide Catalysts in the database.
Data sources & attribution
- 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)
- 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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