AuHgK2
AuHgK2 is a semiconducting ternary intermetallic compound composed of gold, mercury, and potassium that is theoretically stable enough to be synthesized.
About AuHgK2
AuHgK2 is a ternary intermetallic compound composed of gold, mercury, and potassium. As a semiconducting material, it occupies a unique electronic niche that distinguishes it from typical metallic alloys, often exhibiting complex bonding behaviors characteristic of its constituent heavy elements.
This compound is considered near-hull, indicating that it possesses thermodynamic stability favorable enough to be synthesizable in laboratory settings. With multiple reported structures across various databases, it remains a subject of interest for researchers investigating the interplay between noble metals and alkali components in solid-state chemistry.
Key Properties
Cross-validated computational properties for AuHgK2, aggregated across 3 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 AuHgK2, 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 | 0.0230 | -28.261 | 5.65 |
| Immm (No. 71) | orthorhombic | 0.17 | 0.5325 | -27.752 | 0.54 |
| — | — | — | — | — | 4.88 |
| C2/m (No. 12) | — | — | — | — | — |
Frequently Asked Questions
Common questions about AuHgK2, answered from cross-validated data.
What is AuHgK2?
AuHgK2 is a semiconducting ternary intermetallic compound composed of gold, mercury, and potassium that is theoretically stable enough to be synthesized.
What is the band gap of AuHgK2?
Is AuHgK2 a metal, semiconductor, or insulator?
Is AuHgK2 thermodynamically stable?
What is the crystal structure of AuHgK2?
What is the density of AuHgK2?
How many polymorphs of AuHgK2 are known?
What elements does AuHgK2 contain?
Where does the data for AuHgK2 come from?
How It Compares
As a specialized ternary phase, AuHgK2 serves as a distinct example of how gold and mercury can be stabilized within an alkali-rich framework. Unlike simpler binary intermetallics, this compound demonstrates the structural complexity required to maintain semiconducting behavior in a multicomponent system.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
Analyze AuHgK2 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →