CuO
Tenorite · Cupric oxide, Copper(II) oxide
Tenorite is a stable, semimetallic copper oxide frequently utilized as a high-capacity anode material in advanced electrochemical energy storage systems.
About Tenorite
Tenorite is a naturally occurring, thermodynamically stable copper oxide that serves as a prominent member of the conversion oxide anode class. Due to its near-zero-gap electronic structure, it exhibits unique charge transport properties that distinguish it from many wide-gap insulating metal oxides. Its structural robustness and high theoretical capacity make it a subject of intense investigation for next-generation battery technologies. Beyond energy storage, it is widely utilized in catalysis, gas sensing, and as a pigment in ceramics and glass. The material is highly data-rich, with hundreds of reported structures providing a deep foundation for understanding its electrochemical behavior and phase stability during lithiation cycles.
Key Properties
Cross-validated computational properties for Tenorite, aggregated across 5 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 CuO. 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 CuO, 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. |
|---|---|---|---|---|---|
| P42/mmc (No. 131) | tetragonal | 0.00 | 0.0000 | -5.466 | 6.16 |
| C2/c (No. 15) | monoclinic | 0.00 | 0.0003 | -5.466 | 5.94 |
| Cccm (No. 66) | orthorhombic | 0.00 | 0.0011 | -5.465 | 5.97 |
| Pnma (No. 62) | orthorhombic | 0.02 | 0.1528 | -5.314 | 4.69 |
| Fm-3m (No. 225) | cubic | 0.00 | 0.1711 | -5.295 | 6.97 |
| P42/nmc (No. 137) | tetragonal | 0.00 | 0.1795 | -5.287 | 5.06 |
| P4/mmm (No. 123) | tetragonal | 0.00 | 0.2776 | -5.189 | 5.89 |
| Pm-3m (No. 221) | cubic | 0.00 | 0.3354 | -5.131 | 6.47 |
| I4/mmm (No. 139) | tetragonal | 0.00 | 0.5894 | -4.877 | 3.73 |
| I4/mmm (No. 139) | — | — | — | — | — |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.40 |
| Fm-3m (No. 225) | — | — | — | — | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting CuO.
Applications
Where Tenorite is used.
Frequently Asked Questions
Common questions about Tenorite, answered from cross-validated data.
What is CuO?
Tenorite is a stable, semimetallic copper oxide frequently utilized as a high-capacity anode material in advanced electrochemical energy storage systems.
What is CuO used for?
What is the band gap of CuO?
Is CuO a metal, semiconductor, or insulator?
Is CuO thermodynamically stable?
What is the crystal structure of CuO?
What is the density of CuO?
How many polymorphs of CuO are known?
How is CuO synthesized?
What elements does CuO contain?
Where does the data for CuO come from?
How It Compares
Within the conversion oxide anodes class.
Compared to other conversion oxide anodes like Fe2O3 and MnO2, CuO stands out for its semimetallic electronic character, which facilitates faster electron transfer during redox reactions. While siblings like Co3O4 and SnO2 are frequently studied for their specific cycling stability, CuO remains a fundamental benchmark in the class due to its thermodynamic stability on the convex hull and its relatively simple, well-characterized crystal structure.
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).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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