Ag4Cr4O14
Ag4Cr4O14 is a semiconducting spinel oxide that is thermodynamically stable enough to be a target for experimental synthesis in catalytic research.
About Ag4Cr4O14
Ag4Cr4O14 is a complex spinel oxide characterized by its semiconducting electronic nature. As a near-hull material, it is considered a prime candidate for experimental synthesis and further investigation within the broader family of transition metal oxides.
This compound is of significant interest to materials scientists focusing on catalytic processes. Its unique structural arrangement and electronic properties suggest potential utility in chemical transformation applications where stable, semiconducting oxide surfaces are required.
Key Properties
Cross-validated computational properties for Ag4Cr4O14, 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.
Reported Structures
Lowest-energy structures reported for Ag4Cr4O14, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 1.34 | 0.0203 | -6.706 | 4.37 |
| P-1 (No. 2) | triclinic | 1.44 | 0.0278 | -6.699 | 4.64 |
| — | — | — | — | — | 3.81 |
| P-1 (No. 2) | — | — | — | — | — |
Applications
Where Ag4Cr4O14 is used.
Frequently Asked Questions
Common questions about Ag4Cr4O14, answered from cross-validated data.
What is Ag4Cr4O14?
Ag4Cr4O14 is a semiconducting spinel oxide that is thermodynamically stable enough to be a target for experimental synthesis in catalytic research.
What is Ag4Cr4O14 used for?
What is the band gap of Ag4Cr4O14?
Is Ag4Cr4O14 a metal, semiconductor, or insulator?
Is Ag4Cr4O14 thermodynamically stable?
What is the crystal structure of Ag4Cr4O14?
What is the density of Ag4Cr4O14?
How many polymorphs of Ag4Cr4O14 are known?
What elements does Ag4Cr4O14 contain?
Where does the data for Ag4Cr4O14 come from?
How It Compares
Within the spinel oxide catalysts class.
Within the diverse class of spinel and related oxide catalysts, Ag4Cr4O14 occupies a distinct niche compared to simpler binary oxides like NiO or ZnO. While materials like MgAl2O4 are often studied for their structural robustness, Ag4Cr4O14 offers a more complex electronic landscape, positioning it as a specialized alternative to the perovskite-structured LaMnO3 or LaAlO3 in catalytic studies.
Related Compounds
Other Spinel Oxide Catalysts in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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