Al4Cu4Ti4
Al4Cu4Ti4 is a metastable metallic Heusler alloy used primarily in fundamental materials science research.
About Al4Cu4Ti4
Al4Cu4Ti4 is a metallic compound belonging to the complex family of Heusler alloys. As a metastable phase, it represents a unique structural configuration that is of significant interest for researchers studying phase stability and alloy design in ternary systems.
Its identity as a metallic conductor places it within a class of materials often investigated for their magnetic and electronic properties. With a high volume of reported structures across multiple databases, this compound serves as a critical data point for understanding the structural diversity of aluminum-copper-titanium systems.
Key Properties
Cross-validated computational properties for Al4Cu4Ti4, aggregated across 5 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.
Reported Structures
Lowest-energy structures reported for Al4Cu4Ti4, 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. |
|---|---|---|---|---|---|
| Amm2 (No. 38) | orthorhombic | 0.00 | 0.0437 | -10.501 | 5.19 |
| Pmmn (No. 59) | — | — | — | — | — |
| Pnma (No. 62) | — | — | — | — | — |
| P63/mmc (No. 194) | — | — | — | — | — |
| Pnma (No. 62) | — | — | — | — | — |
| Pnma (No. 62) | — | — | — | — | — |
| Pnma (No. 62) | — | — | — | — | — |
| Pnma (No. 62) | — | — | — | — | — |
| Pnma (No. 62) | — | — | — | — | — |
| P63/mmc (No. 194) | — | — | — | — | — |
| Pnma (No. 62) | — | — | — | — | — |
| Pnma (No. 62) | — | — | — | — | — |
Applications
Where Al4Cu4Ti4 is used.
Frequently Asked Questions
Common questions about Al4Cu4Ti4, answered from cross-validated data.
What is Al4Cu4Ti4?
Al4Cu4Ti4 is a metastable metallic Heusler alloy used primarily in fundamental materials science research.
What is Al4Cu4Ti4 used for?
What is the band gap of Al4Cu4Ti4?
Is Al4Cu4Ti4 a metal, semiconductor, or insulator?
Is Al4Cu4Ti4 thermodynamically stable?
What is the crystal structure of Al4Cu4Ti4?
What is the density of Al4Cu4Ti4?
How many polymorphs of Al4Cu4Ti4 are known?
What elements does Al4Cu4Ti4 contain?
Where does the data for Al4Cu4Ti4 come from?
How It Compares
Within the heusler alloys class.
Unlike more stable or widely commercialized Heusler counterparts such as NiSnTi or Fe2SnTi, Al4Cu4Ti4 exists in a metastable state, making it a subject of specialized study rather than standard industrial application.
Related Compounds
Other Heusler Alloys 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).
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