Au1Ga1Y2
Au1Ga1Y2 is a semiconducting ternary intermetallic compound that is thermodynamically metastable.
About Au1Ga1Y2
Au1Ga1Y2 is a complex ternary intermetallic compound composed of gold, gallium, and yttrium. It exhibits semiconducting electronic character, positioning it as an interesting subject for fundamental research into the electronic structure of rare-earth-containing alloys.
Due to its position above the thermodynamic hull, this material is considered likely unstable under standard conditions. Its existence in structural databases highlights the ongoing efforts to map the phase space of ternary systems involving precious metals and rare-earth elements.
Key Properties
Cross-validated computational properties for Au1Ga1Y2, 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 Au1Ga1Y2, 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 | 0.13 | 2.5637 | -3.022 | 0.60 |
| P4/mmm (No. 123) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Cmm2 (No. 35) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| Pmm2 (No. 25) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
Applications
Where Au1Ga1Y2 is used.
Frequently Asked Questions
Common questions about Au1Ga1Y2, answered from cross-validated data.
What is Au1Ga1Y2?
Au1Ga1Y2 is a semiconducting ternary intermetallic compound that is thermodynamically metastable.
What is Au1Ga1Y2 used for?
What is the band gap of Au1Ga1Y2?
Is Au1Ga1Y2 a metal, semiconductor, or insulator?
Is Au1Ga1Y2 thermodynamically stable?
What is the crystal structure of Au1Ga1Y2?
What is the density of Au1Ga1Y2?
How many polymorphs of Au1Ga1Y2 are known?
What elements does Au1Ga1Y2 contain?
Where does the data for Au1Ga1Y2 come from?
How It Compares
As a unique ternary phase, Au1Ga1Y2 represents a specialized case within the broader landscape of gold-gallium-yttrium intermetallics. Unlike more stable, naturally occurring alloys, its metastable nature makes it a distinct target for synthesis studies aimed at understanding the formation of complex crystalline architectures.
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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