Au2Sc1Y1
Au2Sc1Y1 is a semiconducting ternary intermetallic compound composed of gold, scandium, and yttrium that is primarily studied for its structural complexity.
About Au2Sc1Y1
Au2Sc1Y1 is a complex intermetallic compound composed of gold, scandium, and yttrium. As a semiconducting material, it represents a specialized niche in inorganic chemistry, characterized by a structural complexity that has prompted significant investigation across multiple crystallographic databases.
While its thermodynamic profile suggests it exists in a metastable state above the hull, the compound remains a subject of interest for researchers studying the interplay between transition metals and rare-earth elements. Its electronic behavior is central to understanding how these specific atomic combinations influence semiconducting properties in ternary systems.
Key Properties
Cross-validated computational properties for Au2Sc1Y1, 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 Au2Sc1Y1, 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 | 0.10 | 2.3797 | -31.755 | 0.78 |
| P4/mmm (No. 123) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
Applications
Where Au2Sc1Y1 is used.
Frequently Asked Questions
Common questions about Au2Sc1Y1, answered from cross-validated data.
What is Au2Sc1Y1?
Au2Sc1Y1 is a semiconducting ternary intermetallic compound composed of gold, scandium, and yttrium that is primarily studied for its structural complexity.
What is Au2Sc1Y1 used for?
What is the band gap of Au2Sc1Y1?
Is Au2Sc1Y1 a metal, semiconductor, or insulator?
Is Au2Sc1Y1 thermodynamically stable?
What is the crystal structure of Au2Sc1Y1?
What is the density of Au2Sc1Y1?
How many polymorphs of Au2Sc1Y1 are known?
What elements does Au2Sc1Y1 contain?
Where does the data for Au2Sc1Y1 come from?
How It Compares
As a unique ternary intermetallic, Au2Sc1Y1 serves as a distinct case study within the broader field of gold-based rare-earth alloys. Unlike more common, thermodynamically stable binary phases, this compound highlights the challenges and opportunities in synthesizing complex, higher-order structures that push the boundaries of conventional phase stability.
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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