Hf2Hg1Re1
Hf2Hg1Re1 is a complex, semimetallic ternary intermetallic compound containing hafnium, mercury, and rhenium.
About Hf2Hg1Re1
Hf2Hg1Re1 is a ternary intermetallic compound composed of hafnium, mercury, and rhenium. It exhibits a near-zero-gap electronic structure, placing it in the category of semimetallic materials which often display interesting transport phenomena due to the proximity of the valence and conduction bands.
As a material that sits above the thermodynamic hull, Hf2Hg1Re1 is considered metastable under standard conditions. Its existence in multiple reported structures suggests a complex energy landscape, making it a subject of interest for researchers studying phase stability and structural diversity in heavy-element intermetallics.
Key Properties
Cross-validated computational properties for Hf2Hg1Re1, 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 Hf2Hg1Re1, 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 | 0.09 | 3.5457 | -4.861 | 1.35 |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
Applications
Where Hf2Hg1Re1 is used.
Frequently Asked Questions
Common questions about Hf2Hg1Re1, answered from cross-validated data.
What is Hf2Hg1Re1?
Hf2Hg1Re1 is a complex, semimetallic ternary intermetallic compound containing hafnium, mercury, and rhenium.
What is Hf2Hg1Re1 used for?
What is the band gap of Hf2Hg1Re1?
Is Hf2Hg1Re1 a metal, semiconductor, or insulator?
Is Hf2Hg1Re1 thermodynamically stable?
What is the crystal structure of Hf2Hg1Re1?
What is the density of Hf2Hg1Re1?
How many polymorphs of Hf2Hg1Re1 are known?
What elements does Hf2Hg1Re1 contain?
Where does the data for Hf2Hg1Re1 come from?
How It Compares
As a unique ternary intermetallic, Hf2Hg1Re1 serves as a distinct example of how combining transition metals with mercury can yield complex, semimetallic phases. Unlike more common, highly stable binary alloys, this compound occupies a metastable region of the phase space, highlighting the intricate bonding requirements of its constituent elements.
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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