Cu2O3
Copper(III) oxide · Copper sesquioxide
Cu2O3 is a thermodynamically stable semiconducting copper oxide used primarily as a candidate material for high-capacity conversion anode technology in batteries.
About Copper(III) oxide
Copper(III) oxide is a semiconducting transition metal oxide that holds a distinct position within the family of conversion oxide anodes. Being thermodynamically stable on the convex hull, it represents a robust phase that has been extensively characterized across multiple structural databases. Its unique electronic nature makes it a subject of significant interest for researchers investigating advanced electrochemical storage systems. By undergoing conversion reactions during cycling, this material provides a pathway for high-capacity energy density in battery architectures. Its structural diversity, evidenced by numerous reported configurations, highlights its potential for tuning performance in electrochemical applications.
Key Properties
Cross-validated computational properties for Copper(III) oxide, 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 Cu2O3, 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. |
|---|---|---|---|---|---|
| Fdd2 (No. 43) | orthorhombic | 0.14 | 0.0000 | -5.460 | 5.95 |
| Ia-3 (No. 206) | cubic | 0.00 | 0.0187 | -5.442 | 5.98 |
| P21/c (No. 14) | monoclinic | 0.00 | 0.0649 | -5.395 | 4.31 |
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.1997 | -5.261 | 5.41 |
| P21/c (No. 14) | monoclinic | 0.00 | 0.3929 | -5.067 | 5.32 |
| Cm (No. 8) | Monoclinic | — | — | — | 6.16 |
| C2 (No. 5) | Monoclinic | — | — | — | 8.08 |
| P1 (No. 1) | Triclinic | — | — | — | 6.18 |
| P-3m1 (No. 164) | — | — | — | — | — |
| P-62m (No. 189) | — | — | — | — | — |
| P-3m1 (No. 164) | — | — | — | — | — |
| P-4m2 (No. 115) | — | — | — | — | — |
Applications
Where Copper(III) oxide is used.
Frequently Asked Questions
Common questions about Copper(III) oxide, answered from cross-validated data.
What is Cu2O3?
Cu2O3 is a thermodynamically stable semiconducting copper oxide used primarily as a candidate material for high-capacity conversion anode technology in batteries.
What is Cu2O3 used for?
What is the band gap of Cu2O3?
Is Cu2O3 a metal, semiconductor, or insulator?
Is Cu2O3 thermodynamically stable?
What is the crystal structure of Cu2O3?
What is the density of Cu2O3?
How many polymorphs of Cu2O3 are known?
What elements does Cu2O3 contain?
Where does the data for Cu2O3 come from?
How It Compares
Within the conversion oxide anodes class.
Within the class of conversion oxide anodes, Cu2O3 serves as a high-valence counterpart to more common materials like CuO. While CuO is frequently studied for its simpler stoichiometry, Cu2O3 offers a different electrochemical profile that distinguishes it from other transition metal oxides such as Fe2O3, Mn2O3, or Co3O4. Its thermodynamic stability ensures it remains a reliable candidate for comparative studies alongside SnO2 and other binary oxides in the search for improved anode longevity and capacity.
Related Compounds
Other Conversion Oxide Anodes in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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