Hf1Hg2Li1
Hf1Hg2Li1 is a metastable ternary intermetallic compound featuring semimetallic electronic properties.
About Hf1Hg2Li1
Hf1Hg2Li1 is a ternary intermetallic compound composed of hafnium, mercury, and lithium. Its electronic structure is characterized as a near-zero-gap semimetal, placing it in a category of materials where conduction properties are highly sensitive to structural arrangement.
Due to its position above the thermodynamic hull, this compound is considered metastable. It is primarily of interest in fundamental materials research, where its structural complexity and the interplay between its constituent elements are investigated to understand phase stability in multi-component systems.
Key Properties
Cross-validated computational properties for Hf1Hg2Li1, 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 Hf1Hg2Li1, 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 | 1.8640 | -34.956 | 0.88 |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Pmm2 (No. 25) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
Applications
Where Hf1Hg2Li1 is used.
Frequently Asked Questions
Common questions about Hf1Hg2Li1, answered from cross-validated data.
What is Hf1Hg2Li1?
Hf1Hg2Li1 is a metastable ternary intermetallic compound featuring semimetallic electronic properties.
What is Hf1Hg2Li1 used for?
What is the band gap of Hf1Hg2Li1?
Is Hf1Hg2Li1 a metal, semiconductor, or insulator?
Is Hf1Hg2Li1 thermodynamically stable?
What is the crystal structure of Hf1Hg2Li1?
What is the density of Hf1Hg2Li1?
How many polymorphs of Hf1Hg2Li1 are known?
What elements does Hf1Hg2Li1 contain?
Where does the data for Hf1Hg2Li1 come from?
How It Compares
As a unique ternary phase, Hf1Hg2Li1 represents a specialized case within intermetallic materials science. Without direct structural siblings, it serves as a distinct data point in the study of how heavy transition metals and alkali metals interact to form complex, albeit metastable, lattices.
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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