Cu1Hg1Y2
Cu1Hg1Y2 is a semimetallic ternary intermetallic compound consisting of copper, mercury, and yttrium.
About Cu1Hg1Y2
Cu1Hg1Y2 is a ternary intermetallic compound composed of copper, mercury, and yttrium. It exhibits a near-zero-gap electronic character, placing it in the category of semimetallic materials that bridge the behavior of metals and semiconductors.
Due to its position above the thermodynamic hull, this compound is considered metastable, reflecting the complex energetic landscape of its constituent elements. Its structural landscape is notably rich, with numerous reported configurations that highlight the intricate bonding interactions between the transition metal, post-transition metal, and rare-earth components.
Key Properties
Cross-validated computational properties for Cu1Hg1Y2, 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 Cu1Hg1Y2, 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 | 2.4296 | -23.197 | 0.63 |
| R-3m (No. 166) | — | — | — | — | — |
| Cmm2 (No. 35) | — | — | — | — | — |
| P2/m (No. 10) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| Cm (No. 8) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| Cmmm (No. 65) | — | — | — | — | — |
| Pm (No. 6) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Cu1Hg1Y2, answered from cross-validated data.
What is Cu1Hg1Y2?
Cu1Hg1Y2 is a semimetallic ternary intermetallic compound consisting of copper, mercury, and yttrium.
What is the band gap of Cu1Hg1Y2?
Is Cu1Hg1Y2 a metal, semiconductor, or insulator?
Is Cu1Hg1Y2 thermodynamically stable?
What is the crystal structure of Cu1Hg1Y2?
What is the density of Cu1Hg1Y2?
How many polymorphs of Cu1Hg1Y2 are known?
What elements does Cu1Hg1Y2 contain?
Where does the data for Cu1Hg1Y2 come from?
How It Compares
As a unique ternary phase, Cu1Hg1Y2 represents a specialized case within the broader landscape of copper-mercury-yttrium systems, where its semimetallic nature and metastable status underscore the challenges and opportunities in synthesizing stable intermetallic compounds with specific electronic properties.
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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