Hg2Li1Na1
Hg2Li1Na1 is a semiconducting ternary intermetallic compound composed of mercury, lithium, and sodium that exhibits metastable thermodynamic characteristics.
About Hg2Li1Na1
Hg2Li1Na1 is a complex ternary intermetallic compound composed of mercury, lithium, and sodium. Its electronic character is defined as semiconducting, marking it as an intriguing subject for fundamental studies in solid-state physics and materials chemistry.
Despite its structural complexity and the significant number of reported configurations across databases, this material is characterized by its position above the thermodynamic hull. This suggests that it is likely unstable under standard conditions, representing a metastable phase that requires specific synthesis pathways to achieve.
Key Properties
Cross-validated computational properties for Hg2Li1Na1, 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 Hg2Li1Na1, 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 | 0.13 | 0.7497 | -25.745 | 0.60 |
| Pmmm (No. 47) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| Pmm2 (No. 25) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Hg2Li1Na1, answered from cross-validated data.
What is Hg2Li1Na1?
Hg2Li1Na1 is a semiconducting ternary intermetallic compound composed of mercury, lithium, and sodium that exhibits metastable thermodynamic characteristics.
What is the band gap of Hg2Li1Na1?
Is Hg2Li1Na1 a metal, semiconductor, or insulator?
Is Hg2Li1Na1 thermodynamically stable?
What is the crystal structure of Hg2Li1Na1?
What is the density of Hg2Li1Na1?
How many polymorphs of Hg2Li1Na1 are known?
What elements does Hg2Li1Na1 contain?
Where does the data for Hg2Li1Na1 come from?
How It Compares
As a unique ternary intermetallic phase, Hg2Li1Na1 serves as a specialized example of alkali-metal-mercury chemistry. Without direct class siblings for comparison, it stands as a singular case study for researchers investigating the interplay between heavy metal mercury and light alkali elements in non-equilibrium structural arrangements.
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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