Hg1Ir1La2
Hg1Ir1La2 is a semimetallic intermetallic compound containing lanthanum, iridium, and mercury that is studied for its unique structural properties.
About Hg1Ir1La2
Hg1Ir1La2 is a complex intermetallic compound categorized within the platinum-group alloy catalyst class. Characterized by a near-zero-gap electronic structure, it exhibits semimetallic behavior that distinguishes it from more traditional metallic conductors in this group.
As a material currently positioned above the thermodynamic hull, it represents a metastable phase of interest for researchers studying structural diversity. Its existence across multiple reported configurations highlights the intricate bonding environments possible within lanthanum-iridium-mercury systems.
Key Properties
Cross-validated computational properties for Hg1Ir1La2, 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 Hg1Ir1La2, 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 | 0.04 | 2.0033 | -3.361 | 0.85 |
| Cmmm (No. 65) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| R-3m (No. 166) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
Applications
Where Hg1Ir1La2 is used.
Frequently Asked Questions
Common questions about Hg1Ir1La2, answered from cross-validated data.
What is Hg1Ir1La2?
Hg1Ir1La2 is a semimetallic intermetallic compound containing lanthanum, iridium, and mercury that is studied for its unique structural properties.
What is Hg1Ir1La2 used for?
What is the band gap of Hg1Ir1La2?
Is Hg1Ir1La2 a metal, semiconductor, or insulator?
Is Hg1Ir1La2 thermodynamically stable?
What is the crystal structure of Hg1Ir1La2?
What is the density of Hg1Ir1La2?
How many polymorphs of Hg1Ir1La2 are known?
What elements does Hg1Ir1La2 contain?
Where does the data for Hg1Ir1La2 come from?
How It Compares
Within the platinum-group alloy catalysts class.
Within the broader family of platinum-group alloys, Hg1Ir1La2 occupies a unique niche compared to more stable, well-characterized members like LaRh or As2Ir. While many of its siblings exhibit robust thermodynamic stability, this compound serves as a compelling example of the structural complexity that arises when incorporating volatile elements like mercury into transition metal frameworks.
Related Compounds
Other Platinum-Group Alloy Catalysts in the database.
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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