Au2Na1Y1
Au2Na1Y1 is a semiconducting ternary intermetallic compound containing gold, sodium, and yttrium that exists as a metastable phase.
About Au2Na1Y1
Au2Na1Y1 is a complex ternary intermetallic compound composed of gold, sodium, and yttrium. As a semiconducting material, it represents a unique intersection of noble metal, alkali, and rare-earth chemistry, offering a distinct electronic profile compared to purely metallic alloys.
Despite its existence in structural databases, this compound is considered thermodynamically unstable relative to its constituent elements. Its presence in research highlights the ongoing exploration of metastable phases that could potentially offer specialized electronic properties in controlled settings.
Key Properties
Cross-validated computational properties for Au2Na1Y1, 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 Au2Na1Y1, 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 | 0.34 | 1.5594 | -30.407 | 0.72 |
| I-4m2 (No. 119) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| Pmm2 (No. 25) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Au2Na1Y1, answered from cross-validated data.
What is Au2Na1Y1?
Au2Na1Y1 is a semiconducting ternary intermetallic compound containing gold, sodium, and yttrium that exists as a metastable phase.
What is the band gap of Au2Na1Y1?
Is Au2Na1Y1 a metal, semiconductor, or insulator?
Is Au2Na1Y1 thermodynamically stable?
What is the crystal structure of Au2Na1Y1?
What is the density of Au2Na1Y1?
How many polymorphs of Au2Na1Y1 are known?
What elements does Au2Na1Y1 contain?
Where does the data for Au2Na1Y1 come from?
How It Compares
As a unique ternary phase, Au2Na1Y1 occupies a niche position in materials science where the interplay between gold and yttrium often leads to diverse structural arrangements. Unlike more common, highly stable intermetallics, this compound serves as a case study in the synthesis of complex, non-equilibrium phases that challenge standard thermodynamic predictions.
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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