AlCuO2
This compound is a mixed-metal oxide that belongs to the delafossite structural family. It is primarily studied in materials science research for its potential electronic and magnetic properties in thin-film form.
Overview
Key Properties
Cross-validated computational properties for AlCuO2, 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.
1.81 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)
3 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
21
4 databases, 9 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for AlCuO2, 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. |
|---|---|---|---|---|---|
| P63/mmc (No. 194) | hexagonal | 1.81 | 0.0000 | -6.853 | 5.15 |
| R-3m (No. 166) | trigonal | 1.80 | 0.0004 | -6.852 | 5.15 |
| Fd-3m (No. 227) | cubic | 0.00 | 0.1298 | -6.201 | 5.08 |
| I41/a (No. 88) | tetragonal | 0.00 | 0.1786 | -6.152 | 5.38 |
| P21 (No. 4) | monoclinic | 0.00 | 0.6440 | -5.425 | 3.81 |
| C2/m (No. 12) | monoclinic | 0.00 | 0.6524 | -5.416 | 3.83 |
| Cmc21 (No. 36) | orthorhombic | 0.00 | 0.7325 | -5.336 | 3.81 |
| R-3m (No. 166) | Trigonal | — | — | — | 5.26 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.30 |
| R-3m (No. 166) | — | — | — | — | — |
| P1 (No. 1) | Triclinic | — | — | — | 2.99 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 5.13 |
Uses
Applications
Where AlCuO2 is used.
semiconductor researchcatalysis studiesthin-film electronics
Reference
Frequently Asked Questions
Common questions about AlCuO2, answered from cross-validated data.
What is AlCuO2?
This compound is a mixed-metal oxide that belongs to the delafossite structural family. It is primarily studied in materials science research for its potential electronic and magnetic properties in thin-film form.
More questions
What is AlCuO2 used for?
AlCuO2 is used in semiconductor research, catalysis studies, and thin-film electronics.
What is the band gap of AlCuO2?
AlCuO2 has a DFT-computed band gap of 1.81 eV across 21 reported structures.
Is AlCuO2 a metal, semiconductor, or insulator?
With a band gap up to 1.81 eV it is a semiconductor.
Is AlCuO2 thermodynamically stable?
Yes — AlCuO2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of AlCuO2?
The lowest-energy reported polymorph of AlCuO2 is hexagonal symmetry, space group P63/mmc (No. 194).
What is the density of AlCuO2?
The computed density of the ground-state structure of AlCuO2 is 5.15 g/cm³.
How many polymorphs of AlCuO2 are known?
21 structures of AlCuO2 are reported across 4 databases, spanning 9 distinct space groups.
What elements does AlCuO2 contain?
AlCuO2 contains Al, Cu, and O (3 elements).
Where does the data for AlCuO2 come from?
AlCuO2 data is cross-referenced from materials_project, mpaloe, nomad, 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.
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
Analyze AlCuO2 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →