Hg1Li2Zn1
Hg1Li2Zn1 is a semiconducting ternary intermetallic compound composed of mercury, lithium, and zinc.
About Hg1Li2Zn1
Hg1Li2Zn1 is a complex ternary compound composed of mercury, lithium, and zinc. As a semiconducting material, it exhibits electronic properties that distinguish it from simple metallic alloys, though its thermodynamic profile suggests it exists in a metastable state above the ground state hull.
Due to its unique elemental combination, this compound has been the subject of significant structural investigation, with numerous configurations reported in materials databases. Its existence highlights the intricate phase space accessible to multi-component metal systems, providing researchers with insights into the formation of complex intermetallic structures.
Key Properties
Cross-validated computational properties for Hg1Li2Zn1, 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 Hg1Li2Zn1, 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 | 0.67 | 0.9918 | -15.069 | 0.48 |
| Pmm2 (No. 25) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Hg1Li2Zn1, answered from cross-validated data.
What is Hg1Li2Zn1?
Hg1Li2Zn1 is a semiconducting ternary intermetallic compound composed of mercury, lithium, and zinc.
What is the band gap of Hg1Li2Zn1?
Is Hg1Li2Zn1 a metal, semiconductor, or insulator?
Is Hg1Li2Zn1 thermodynamically stable?
What is the crystal structure of Hg1Li2Zn1?
What is the density of Hg1Li2Zn1?
How many polymorphs of Hg1Li2Zn1 are known?
What elements does Hg1Li2Zn1 contain?
Where does the data for Hg1Li2Zn1 come from?
How It Compares
As a unique ternary system, Hg1Li2Zn1 serves as a specialized case study within the broader landscape of mercury-lithium-zinc alloys. Unlike more common binary intermetallics, this compound demonstrates the structural diversity possible when integrating heavy post-transition metals with light alkali elements, even when such phases are not thermodynamically favored under standard conditions.
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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