Cd2Hg1Li1
Cd2Hg1Li1 is a semimetallic ternary intermetallic compound that exists in a metastable state.
About Cd2Hg1Li1
Cd2Hg1Li1 is a ternary intermetallic compound composed of cadmium, mercury, and lithium. Its electronic structure exhibits near-zero-gap characteristics, placing it in the category of semimetallic materials that often bridge the gap between insulating and metallic behaviors.
This material is characterized as being above the hull, suggesting it is a metastable phase that requires specific synthesis conditions to stabilize. With a significant number of reported structures in crystallographic databases, it remains a subject of interest for fundamental studies in solid-state chemistry and phase stability.
Key Properties
Cross-validated computational properties for Cd2Hg1Li1, 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 Cd2Hg1Li1, 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 | 0.7317 | -22.463 | 0.62 |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| P4mm (No. 99) | — | — | — | — | — |
| R3m (No. 160) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
| F-43m (No. 216) | — | — | — | — | — |
| Fm-3m (No. 225) | — | — | — | — | — |
| Imm2 (No. 44) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| P4/mmm (No. 123) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Cd2Hg1Li1, answered from cross-validated data.
What is Cd2Hg1Li1?
Cd2Hg1Li1 is a semimetallic ternary intermetallic compound that exists in a metastable state.
What is the band gap of Cd2Hg1Li1?
Is Cd2Hg1Li1 a metal, semiconductor, or insulator?
Is Cd2Hg1Li1 thermodynamically stable?
What is the crystal structure of Cd2Hg1Li1?
What is the density of Cd2Hg1Li1?
How many polymorphs of Cd2Hg1Li1 are known?
What elements does Cd2Hg1Li1 contain?
Where does the data for Cd2Hg1Li1 come from?
How It Compares
As a unique ternary combination of cadmium, mercury, and lithium, this compound represents a specialized niche in intermetallic chemistry. Without direct structural siblings in this specific ternary system, it serves as an important reference point for understanding how the inclusion of alkali metals like lithium influences the electronic and thermodynamic landscape of mercury-cadmium alloys.
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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