CuBiO2
Copper bismuth oxide is a ternary inorganic compound that has been investigated for its semiconducting properties. It is primarily studied for its potential utility in light-harvesting technologies and electrochemical processes.
Overview
Key Properties
Cross-validated computational properties for CuBiO2, 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.
0.63–0.84 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.
13
3 databases, 5 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for CuBiO2, 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. |
|---|---|---|---|---|---|
| P4/ncc (No. 130) | tetragonal | 0.00 | 0.0000 | -5.976 | 8.47 |
| P21/m (No. 11) | monoclinic | 0.84 | 0.0098 | -5.732 | 7.88 |
| Immm (No. 71) | orthorhombic | 0.63 | 0.0406 | -5.701 | 7.41 |
| I4/mmm (No. 139) | tetragonal | 0.00 | 0.0762 | -5.900 | 8.95 |
| I4cm (No. 108) | tetragonal | 0.00 | 0.0998 | -5.876 | 7.96 |
| Immm (No. 71) | Orthorhombic | — | — | — | 7.41 |
| Immm (No. 71) | Orthorhombic | — | — | — | 7.87 |
| Immm (No. 71) | Orthorhombic | — | — | — | 7.63 |
| P21/m (No. 11) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| P21/m (No. 11) | Monoclinic | — | — | — | 7.98 |
| P21/m (No. 11) | Monoclinic | — | — | — | 7.52 |
Uses
Applications
Where CuBiO2 is used.
PhotocatalysisSolar energy conversionSemiconductor research
Reference
Frequently Asked Questions
Common questions about CuBiO2, answered from cross-validated data.
What is CuBiO2?
Copper bismuth oxide is a ternary inorganic compound that has been investigated for its semiconducting properties. It is primarily studied for its potential utility in light-harvesting technologies and electrochemical processes.
More questions
What is CuBiO2 used for?
CuBiO2 is used in photocatalysis, solar energy conversion, and semiconductor research.
What is the band gap of CuBiO2?
CuBiO2 has a DFT-computed band gap of 0.63–0.84 eV across 13 reported structures.
Is CuBiO2 a metal, semiconductor, or insulator?
With a band gap up to 0.84 eV it is a semiconductor.
Is CuBiO2 thermodynamically stable?
Yes — CuBiO2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of CuBiO2?
The lowest-energy reported polymorph of CuBiO2 is tetragonal symmetry, space group P4/ncc (No. 130).
What is the density of CuBiO2?
The computed density of the ground-state structure of CuBiO2 is 8.47 g/cm³.
How many polymorphs of CuBiO2 are known?
13 structures of CuBiO2 are reported across 3 databases, spanning 5 distinct space groups.
What elements does CuBiO2 contain?
CuBiO2 contains Bi, Cu, and O (3 elements).
Where does the data for CuBiO2 come from?
CuBiO2 data is cross-referenced from materials_project, 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).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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