Au2Cu1Sc1
Au2Cu1Sc1 is a semimetallic ternary intermetallic compound containing gold, copper, and scandium that is primarily studied for its structural complexity.
About Au2Cu1Sc1
Au2Cu1Sc1 is a complex ternary intermetallic compound composed of gold, copper, and scandium. Its electronic structure exhibits semimetallic behavior, characterized by a near-zero band gap that influences its charge transport properties.
This material is primarily of interest in fundamental condensed matter research due to its structural diversity. As a compound that sits above the thermodynamic hull, it represents a metastable phase that provides insights into the synthesis and stability of multi-element metallic systems.
Key Properties
Cross-validated computational properties for Au2Cu1Sc1, aggregated across 2 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 Au2Cu1Sc1, 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. |
|---|---|---|---|---|---|
| Immm (No. 71) | orthorhombic | 0.03 | 1.9851 | -2.874 | 0.91 |
| Pmmm (No. 47) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| Pmm2 (No. 25) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
Applications
Where Au2Cu1Sc1 is used.
Frequently Asked Questions
Common questions about Au2Cu1Sc1, answered from cross-validated data.
What is Au2Cu1Sc1?
Au2Cu1Sc1 is a semimetallic ternary intermetallic compound containing gold, copper, and scandium that is primarily studied for its structural complexity.
What is Au2Cu1Sc1 used for?
What is the band gap of Au2Cu1Sc1?
Is Au2Cu1Sc1 a metal, semiconductor, or insulator?
Is Au2Cu1Sc1 thermodynamically stable?
What is the crystal structure of Au2Cu1Sc1?
What is the density of Au2Cu1Sc1?
How many polymorphs of Au2Cu1Sc1 are known?
What elements does Au2Cu1Sc1 contain?
Where does the data for Au2Cu1Sc1 come from?
How It Compares
As a specialized ternary phase, Au2Cu1Sc1 serves as a distinct example of how gold, copper, and scandium can arrange into diverse structural configurations. Unlike more common, highly stable binary alloys, this compound highlights the challenges and opportunities in stabilizing complex intermetallic systems that exist outside of standard equilibrium conditions.
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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