Hg1Li2Tl1
Hg1Li2Tl1 is a thermodynamically stable, semimetallic ternary intermetallic compound composed of mercury, lithium, and thallium.
About Hg1Li2Tl1
Hg1Li2Tl1 is a distinct ternary intermetallic compound characterized by its semimetallic electronic nature. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural arrangement of mercury, lithium, and thallium atoms.
This material is of significant interest in solid-state chemistry due to its structural complexity, evidenced by numerous reported configurations in crystallographic databases. Its stability and unique electronic profile make it a subject of fundamental research into the behavior of heavy-metal alloys.
Key Properties
Cross-validated computational properties for Hg1Li2Tl1, 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 Hg1Li2Tl1, 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. |
|---|---|---|---|---|---|
| P4/mmm (No. 123) | tetragonal | 0.00 | 0.0000 | -27.164 | 9.08 |
| Fm-3m (No. 225) | cubic | 0.00 | 0.0096 | -27.155 | 9.14 |
| Immm (No. 71) | orthorhombic | 0.09 | 1.0307 | -26.134 | 0.62 |
| I4/mmm (No. 139) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| Pmmm (No. 47) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
Applications
Where Hg1Li2Tl1 is used.
Frequently Asked Questions
Common questions about Hg1Li2Tl1, answered from cross-validated data.
What is Hg1Li2Tl1?
Hg1Li2Tl1 is a thermodynamically stable, semimetallic ternary intermetallic compound composed of mercury, lithium, and thallium.
What is Hg1Li2Tl1 used for?
What is the band gap of Hg1Li2Tl1?
Is Hg1Li2Tl1 a metal, semiconductor, or insulator?
Is Hg1Li2Tl1 thermodynamically stable?
What is the crystal structure of Hg1Li2Tl1?
What is the density of Hg1Li2Tl1?
How many polymorphs of Hg1Li2Tl1 are known?
What elements does Hg1Li2Tl1 contain?
Where does the data for Hg1Li2Tl1 come from?
How It Compares
As a unique ternary phase, Hg1Li2Tl1 serves as a specialized example of heavy-metal lithium-based alloys. It occupies a distinct niche in materials research, providing a stable reference point for understanding how the integration of mercury and thallium influences the electronic landscape compared to simpler binary lithium intermetallics.
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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