Ag1Hg1Y2
Ag1Hg1Y2 is a thermodynamically stable semiconducting intermetallic compound composed of silver, mercury, and yttrium.
About Ag1Hg1Y2
Ag1Hg1Y2 is a distinct intermetallic compound characterized by its semiconducting electronic nature. As a thermodynamically stable phase residing on the convex hull, it represents a robust configuration of silver, mercury, and yttrium atoms that maintains structural integrity under standard conditions.
This material is notable for its significant structural diversity, with numerous reported crystalline arrangements documented across databases. Its stability and electronic profile make it a subject of interest for researchers investigating complex ternary systems and their fundamental physical properties.
Key Properties
Cross-validated computational properties for Ag1Hg1Y2, 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 Ag1Hg1Y2, 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. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 0.00 | 0.0000 | -28.301 | 8.19 |
| Immm (No. 71) | orthorhombic | 0.18 | 2.3189 | -25.982 | 0.62 |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
Applications
Where Ag1Hg1Y2 is used.
Frequently Asked Questions
Common questions about Ag1Hg1Y2, answered from cross-validated data.
What is Ag1Hg1Y2?
Ag1Hg1Y2 is a thermodynamically stable semiconducting intermetallic compound composed of silver, mercury, and yttrium.
What is Ag1Hg1Y2 used for?
What is the band gap of Ag1Hg1Y2?
Is Ag1Hg1Y2 a metal, semiconductor, or insulator?
Is Ag1Hg1Y2 thermodynamically stable?
What is the crystal structure of Ag1Hg1Y2?
What is the density of Ag1Hg1Y2?
How many polymorphs of Ag1Hg1Y2 are known?
What elements does Ag1Hg1Y2 contain?
Where does the data for Ag1Hg1Y2 come from?
How It Compares
As a unique ternary intermetallic, Ag1Hg1Y2 serves as a foundational example of how silver, mercury, and yttrium can combine to form a stable, semiconducting framework. It stands as a distinct entry point for exploring the electronic behaviors inherent in this specific elemental combination.
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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