Ag1Hg2Li1
Ag1Hg2Li1 is a semiconducting ternary intermetallic compound formed from silver, mercury, and lithium that exhibits metastable thermodynamic characteristics.
About Ag1Hg2Li1
Ag1Hg2Li1 is a ternary intermetallic compound composed of silver, mercury, and lithium. It exhibits semiconducting electronic character, positioning it as a distinct subject for research into the electronic properties of complex multi-element metallic systems.
Due to its position above the thermodynamic hull, this material is considered metastable, which adds complexity to its synthesis and characterization. Despite this, it remains a notable entry in structural databases, with numerous reported configurations that highlight the diverse ways these elements can arrange at the atomic scale.
Key Properties
Cross-validated computational properties for Ag1Hg2Li1, 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 Ag1Hg2Li1, 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 | 1.04 | 0.6642 | -30.150 | 0.84 |
| P4/mmm (No. 123) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
| Cmm2 (No. 35) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Ag1Hg2Li1, answered from cross-validated data.
What is Ag1Hg2Li1?
Ag1Hg2Li1 is a semiconducting ternary intermetallic compound formed from silver, mercury, and lithium that exhibits metastable thermodynamic characteristics.
What is the band gap of Ag1Hg2Li1?
Is Ag1Hg2Li1 a metal, semiconductor, or insulator?
Is Ag1Hg2Li1 thermodynamically stable?
What is the crystal structure of Ag1Hg2Li1?
What is the density of Ag1Hg2Li1?
How many polymorphs of Ag1Hg2Li1 are known?
What elements does Ag1Hg2Li1 contain?
Where does the data for Ag1Hg2Li1 come from?
How It Compares
As a unique ternary intermetallic, Ag1Hg2Li1 serves as a specialized case study for how the combination of noble metals and alkali elements influences electronic behavior. Without direct siblings in this specific class, it stands as an individual example of how metastable phases can be explored to understand the limits of structural stability in complex metallic alloys.
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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