Hg1La2Zn1
Hg1La2Zn1 is a semimetallic ternary intermetallic compound composed of mercury, lanthanum, and zinc that is likely synthesizable due to its favorable thermodynamic stability.
About Hg1La2Zn1
Hg1La2Zn1 is a complex intermetallic compound composed of mercury, lanthanum, and zinc. Its electronic structure exhibits semimetallic behavior, characterized by a near-zero gap that influences its unique charge transport properties.
As a near-hull phase, this material is considered a prime candidate for experimental synthesis. Its presence in structural databases highlights its significance in the study of ternary rare-earth metal systems and their potential for specialized electronic applications.
Key Properties
Cross-validated computational properties for Hg1La2Zn1, 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 Hg1La2Zn1, 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 | 0.0113 | -29.887 | 8.01 |
| Immm (No. 71) | orthorhombic | 0.06 | 2.2918 | -27.606 | 0.71 |
| Fm-3m (No. 225) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
Applications
Where Hg1La2Zn1 is used.
Frequently Asked Questions
Common questions about Hg1La2Zn1, answered from cross-validated data.
What is Hg1La2Zn1?
Hg1La2Zn1 is a semimetallic ternary intermetallic compound composed of mercury, lanthanum, and zinc that is likely synthesizable due to its favorable thermodynamic stability.
What is Hg1La2Zn1 used for?
What is the band gap of Hg1La2Zn1?
Is Hg1La2Zn1 a metal, semiconductor, or insulator?
Is Hg1La2Zn1 thermodynamically stable?
What is the crystal structure of Hg1La2Zn1?
What is the density of Hg1La2Zn1?
How many polymorphs of Hg1La2Zn1 are known?
What elements does Hg1La2Zn1 contain?
Where does the data for Hg1La2Zn1 come from?
How It Compares
As a distinct ternary intermetallic, Hg1La2Zn1 serves as a foundational example of how lanthanum-based mercury-zinc systems can achieve thermodynamic stability near the convex hull, providing a reference point for future exploration of similar rare-earth intermetallic 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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