AlCu
AlCu is a thermodynamically stable metallic intermetallic compound composed of aluminum and copper.
About AlCu
AlCu is a metallic intermetallic compound formed from aluminum and copper. As a thermodynamically stable phase located on the convex hull, it represents a robust configuration of these two elements that remains structurally sound under standard conditions. Its metallic nature facilitates high electronic conductivity, making it a subject of interest for fundamental studies in alloy physics and materials science. The compound is characterized by a high degree of structural diversity, with numerous reported configurations across various databases, reflecting its complex potential for atomic arrangement. This structural richness underscores its importance in understanding phase formation and stability in binary metallic systems.
Key Properties
Cross-validated computational properties for AlCu, 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.
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 AlCu. 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 AlCu, 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/m (No. 12) | monoclinic | 0.00 | 0.0000 | -9.032 | 5.51 |
| Pm-3m (No. 221) | cubic | 0.00 | 0.0741 | -8.958 | 5.58 |
| Amm2 (No. 38) | Orthorhombic | — | — | — | 5.28 |
| No. 0 | unknown | — | — | — | 1.61 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.36 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.59 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.51 |
| P3221 (No. 154) | Trigonal | — | — | — | 3.19 |
| P3221 (No. 154) | Trigonal | — | — | — | 3.84 |
| P3221 (No. 154) | Trigonal | — | — | — | 4.20 |
| P21/m (No. 11) | Monoclinic | — | — | — | 3.29 |
| P4/nmm (No. 129) | Tetragonal | — | — | — | 3.32 |
Applications
Where AlCu is used.
Frequently Asked Questions
Common questions about AlCu, answered from cross-validated data.
What is AlCu?
AlCu is a thermodynamically stable metallic intermetallic compound composed of aluminum and copper.
What is AlCu used for?
What is the band gap of AlCu?
Is AlCu a metal, semiconductor, or insulator?
Is AlCu thermodynamically stable?
What is the crystal structure of AlCu?
What is the density of AlCu?
How many polymorphs of AlCu are known?
What elements does AlCu contain?
Where does the data for AlCu come from?
How It Compares
As a binary intermetallic, AlCu serves as a foundational example of how aluminum and copper interact to form stable, ordered metallic phases. It represents a key point of reference for studying the thermodynamic landscape of the aluminum-copper system, providing essential insights into the structural preferences that emerge when these two common metals are combined.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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