Cu8O20Y8
Cu8O20Y8 is a metastable, semiconducting spinel oxide used in materials science research for its potential catalytic properties.
About Cu8O20Y8
Cu8O20Y8 is a complex semiconducting oxide that belongs to the broader family of spinel-structured materials. Its composition of copper, oxygen, and yttrium creates a distinct electronic environment that is of significant interest for researchers investigating catalytic pathways in metastable systems. The material is characterized by a notable structural diversity, as evidenced by its multiple reported configurations in crystallographic databases. This versatility makes it a compelling subject for studies focused on phase-dependent reactivity and the development of specialized catalytic surfaces.
Key Properties
Cross-validated computational properties for Cu8O20Y8, 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 Cu8O20Y8, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 0.09 | 0.0403 | -7.682 | 5.04 |
| Pna21 (No. 33) | orthorhombic | 0.33 | 0.0464 | -7.675 | 5.25 |
| Pna21 (No. 33) | — | — | — | — | — |
| Pna21 (No. 33) | — | — | — | — | — |
| Pnma (No. 62) | — | — | — | — | — |
| — | — | — | — | — | 5.25 |
| Pna21 (No. 33) | — | — | — | — | — |
| Pna21 (No. 33) | — | — | — | — | — |
Applications
Where Cu8O20Y8 is used.
Frequently Asked Questions
Common questions about Cu8O20Y8, answered from cross-validated data.
What is Cu8O20Y8?
Cu8O20Y8 is a metastable, semiconducting spinel oxide used in materials science research for its potential catalytic properties.
What is Cu8O20Y8 used for?
What is the band gap of Cu8O20Y8?
Is Cu8O20Y8 a metal, semiconductor, or insulator?
Is Cu8O20Y8 thermodynamically stable?
What is the crystal structure of Cu8O20Y8?
What is the density of Cu8O20Y8?
How many polymorphs of Cu8O20Y8 are known?
What elements does Cu8O20Y8 contain?
Where does the data for Cu8O20Y8 come from?
How It Compares
Within the spinel oxide catalysts class.
Within the diverse class of spinel and transition metal oxide catalysts, Cu8O20Y8 occupies a unique niche compared to more common binary oxides like CuO or ZnO. While simple oxides often serve as baseline catalysts, the inclusion of yttrium in this complex structure allows for more nuanced electronic tuning, positioning it as a specialized alternative to the more widely studied perovskite-type oxides such as LaNiO3 or LaMnO3.
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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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