Hg2K1Na1
Hg2K1Na1 is a semimetallic ternary amalgam of mercury, potassium, and sodium used primarily in fundamental materials science research.
About Hg2K1Na1
Hg2K1Na1 is a ternary intermetallic compound composed of mercury, potassium, and sodium. As a near-zero-gap material, it exhibits semimetallic electronic characteristics that distinguish it from traditional insulating or semiconducting alloys. Its structural complexity is evidenced by the wide range of reported configurations within experimental databases. Being positioned above the thermodynamic hull, this compound is considered metastable, requiring specific conditions for synthesis and preservation. Its role is primarily centered on fundamental materials research into the bonding behaviors of alkali metal amalgams.
Key Properties
Cross-validated computational properties for Hg2K1Na1, 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 Hg2K1Na1, 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 | 0.05 | 0.5890 | -26.757 | 0.49 |
| Cmm2 (No. 35) | — | — | — | — | — |
| I-4m2 (No. 119) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
Applications
Where Hg2K1Na1 is used.
Frequently Asked Questions
Common questions about Hg2K1Na1, answered from cross-validated data.
What is Hg2K1Na1?
Hg2K1Na1 is a semimetallic ternary amalgam of mercury, potassium, and sodium used primarily in fundamental materials science research.
What is Hg2K1Na1 used for?
What is the band gap of Hg2K1Na1?
Is Hg2K1Na1 a metal, semiconductor, or insulator?
Is Hg2K1Na1 thermodynamically stable?
What is the crystal structure of Hg2K1Na1?
What is the density of Hg2K1Na1?
How many polymorphs of Hg2K1Na1 are known?
What elements does Hg2K1Na1 contain?
Where does the data for Hg2K1Na1 come from?
How It Compares
As a unique ternary amalgam, Hg2K1Na1 represents a specialized case in the study of mercury-alkali metal systems, serving as a focal point for understanding how the integration of multiple alkali species influences the electronic structure of mercury-rich phases.
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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