Cu2PbO2
This inorganic compound is a mixed-metal oxide containing copper and lead. It is primarily studied in materials science research for its structural properties and potential roles in solid-state chemistry.
Overview
Key Properties
Cross-validated computational properties for Cu2PbO2, aggregated across 4 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.
0.63 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
6
4 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Cu2PbO2, 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/c (No. 15) | monoclinic | 0.63 | 0.0000 | -5.342 | 8.12 |
| No. 0 | unknown | — | — | — | 0.78 |
| C2/c (No. 15) | Monoclinic | — | — | — | 8.19 |
| C2/c (No. 15) | — | — | — | — | — |
| C2/c (No. 15) | Monoclinic | — | — | — | 7.83 |
| C2/c (No. 15) | Monoclinic | — | — | — | 8.05 |
Uses
Applications
Where Cu2PbO2 is used.
Materials science researchSolid-state chemistry studies
Reference
Frequently Asked Questions
Common questions about Cu2PbO2, answered from cross-validated data.
What is Cu2PbO2?
This inorganic compound is a mixed-metal oxide containing copper and lead. It is primarily studied in materials science research for its structural properties and potential roles in solid-state chemistry.
More questions
What is Cu2PbO2 used for?
Cu2PbO2 is used in materials science research and solid-state chemistry studies.
What is the band gap of Cu2PbO2?
Cu2PbO2 has a DFT-computed band gap of 0.63 eV across 6 reported structures.
Is Cu2PbO2 a metal, semiconductor, or insulator?
With a band gap up to 0.63 eV it is a semiconductor.
Is Cu2PbO2 thermodynamically stable?
Yes — Cu2PbO2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Cu2PbO2?
The lowest-energy reported polymorph of Cu2PbO2 is monoclinic symmetry, space group C2/c (No. 15).
What is the density of Cu2PbO2?
The computed density of the ground-state structure of Cu2PbO2 is 8.12 g/cm³.
How many polymorphs of Cu2PbO2 are known?
6 structures of Cu2PbO2 are reported across 4 databases, spanning 2 distinct space groups.
What elements does Cu2PbO2 contain?
Cu2PbO2 contains Cu, O, and Pb (3 elements).
Where does the data for Cu2PbO2 come from?
Cu2PbO2 data is cross-referenced from materials_project, cod, mpaloe, jarvis.
Explore
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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