Cr3AgO8
Cr3AgO8 is a stable, semiconducting ternary oxide material frequently investigated for its catalytic properties within the broader spinel family.
About Cr3AgO8
Cr3AgO8 is a distinct member of the spinel oxide catalyst family, characterized by its semiconducting electronic nature. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural arrangement that maintains integrity under various conditions. Its unique composition of silver and chromium oxides makes it a subject of interest for advanced material research.
This compound is primarily studied for its potential roles in chemical conversion processes where surface reactivity is paramount. Given its stability and electronic profile, it serves as a specialized candidate for researchers looking to tune catalytic performance through precise elemental substitution within the spinel framework.
Key Properties
Cross-validated computational properties for Cr3AgO8, 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 Cr3AgO8. 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 Cr3AgO8, 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 | 1.24 | 0.0000 | -7.591 | 4.11 |
| C2/m (No. 12) | monoclinic | 0.22 | 0.0000 | -1.733 | — |
| C2/m (No. 12) | monoclinic | 0.22 | 0.0002 | -1.733 | — |
| — | — | 1.07 | 0.0051 | -1.640 | — |
| C2/m (No. 12) | monoclinic | — | — | — | 4.12 |
| C2/m (No. 12) | monoclinic | — | — | — | 3.75 |
| C2/m (No. 12) | monoclinic | — | — | — | 3.88 |
Applications
Where Cr3AgO8 is used.
Frequently Asked Questions
Common questions about Cr3AgO8, answered from cross-validated data.
What is Cr3AgO8?
Cr3AgO8 is a stable, semiconducting ternary oxide material frequently investigated for its catalytic properties within the broader spinel family.
What is Cr3AgO8 used for?
What is the band gap of Cr3AgO8?
Is Cr3AgO8 a metal, semiconductor, or insulator?
Is Cr3AgO8 thermodynamically stable?
What is the crystal structure of Cr3AgO8?
What is the density of Cr3AgO8?
How many polymorphs of Cr3AgO8 are known?
What elements does Cr3AgO8 contain?
Where does the data for Cr3AgO8 come from?
How It Compares
Within the spinel oxide catalysts class.
Unlike the widely utilized binary oxides such as ZnO or NiO, Cr3AgO8 offers a more complex structural environment typical of ternary spinel systems. While it shares the fundamental spinel-related oxide architecture with materials like MgAl2O4, its specific electronic character distinguishes it from the insulating nature of many simple spinels, positioning it as a functional alternative to more common perovskite-based catalysts like LaMnO3.
Related Compounds
Other Spinel Oxide 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 Cr3AgO8 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 85 source databases.
Explore the Platform →