Cu4O8
Cu4O8 has a DFT band gap of 0.07 eV across 46 reported structures in 23 space groups; its lowest-energy polymorph is trigonal (R-3m (No. 166)). Cross-validated across 4 computational databases.
At a glance
Key Properties
Cross-validated computational properties for Cu4O8, 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.
0.07 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.
0.180 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.
Above hull
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
46
4 databases, 23 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Cu4O8, 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. |
|---|---|---|---|---|---|
| R-3m (No. 166) | trigonal | 0.00 | 0.1801 | -5.195 | 4.63 |
| Fd-3m (No. 227) | cubic | 0.00 | 0.1905 | -5.184 | 4.52 |
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.2115 | -5.163 | 4.96 |
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.2912 | -5.084 | 1.54 |
| Cmcm (No. 63) | orthorhombic | 0.00 | 0.2923 | -5.083 | 2.20 |
| Fmmm (No. 69) | orthorhombic | 0.00 | 0.2946 | -5.080 | 1.89 |
| Fmmm (No. 69) | orthorhombic | 0.00 | 0.3013 | -5.074 | 2.77 |
| C2/m (No. 12) | monoclinic | 0.07 | 0.3096 | -5.065 | 1.81 |
| Pmmm (No. 47) | orthorhombic | 0.00 | 1.3328 | -4.042 | 1.44 |
| Cmm2 (No. 35) | — | — | — | — | — |
| Pnma (No. 62) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
Reference
Frequently Asked Questions
Common questions about Cu4O8, answered from cross-validated data.
What is the band gap of Cu4O8?
Cu4O8 has a DFT-computed band gap of 0.07 eV across 46 reported structures.
More questions
Is Cu4O8 a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is Cu4O8 thermodynamically stable?
Cu4O8 has a lowest energy above hull of 0.180 eV/atom (above hull).
What is the crystal structure of Cu4O8?
The lowest-energy reported polymorph of Cu4O8 is trigonal symmetry, space group R-3m (No. 166).
What is the density of Cu4O8?
The computed density of the ground-state structure of Cu4O8 is 4.63 g/cm³.
How many polymorphs of Cu4O8 are known?
46 structures of Cu4O8 are reported across 4 databases, spanning 23 distinct space groups.
What elements does Cu4O8 contain?
Cu4O8 contains Cu and O (2 elements).
Where does the data for Cu4O8 come from?
Cu4O8 data is cross-referenced from materials_project, aflow.
Explore
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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
Analyze Cu4O8 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →