Ag2Hg1Y1
Ag2Hg1Y1 is a semiconducting ternary compound consisting of silver, mercury, and yttrium that exhibits significant structural complexity.
About Ag2Hg1Y1
Ag2Hg1Y1 is a ternary intermetallic compound composed of silver, mercury, and yttrium. It exhibits semiconducting electronic behavior, which distinguishes it from purely metallic alloys and makes it a subject of interest for fundamental solid-state research.
Despite its existence in multiple structural configurations, the compound is found to be thermodynamically unstable relative to the ground state. This suggests that while it can be synthesized or modeled in various forms, it likely requires specific conditions to maintain its structural integrity.
Key Properties
Cross-validated computational properties for Ag2Hg1Y1, 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 Ag2Hg1Y1, 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 | 0.30 | 1.6330 | -26.793 | 0.67 |
| P4/mmm (No. 123) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Ag2Hg1Y1, answered from cross-validated data.
What is Ag2Hg1Y1?
Ag2Hg1Y1 is a semiconducting ternary compound consisting of silver, mercury, and yttrium that exhibits significant structural complexity.
What is the band gap of Ag2Hg1Y1?
Is Ag2Hg1Y1 a metal, semiconductor, or insulator?
Is Ag2Hg1Y1 thermodynamically stable?
What is the crystal structure of Ag2Hg1Y1?
What is the density of Ag2Hg1Y1?
How many polymorphs of Ag2Hg1Y1 are known?
What elements does Ag2Hg1Y1 contain?
Where does the data for Ag2Hg1Y1 come from?
How It Compares
As a unique ternary phase, Ag2Hg1Y1 represents an unconventional combination of elements that does not fit neatly into standard intermetallic classifications. Unlike more stable, highly ordered binary alloys, this compound is notable for its high structural variability, reflecting the complex interplay between its constituent elements.
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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