Cd4HgSe5
Cd4HgSe5 is a semimetallic cadmium-mercury-selenide compound that is considered a viable candidate for synthesis due to its favorable thermodynamic stability.
About Cd4HgSe5
Cd4HgSe5 is a complex chalcogenide characterized by its near-zero-gap electronic structure, placing it in the regime of semimetallic behavior. Its composition of cadmium, mercury, and selenium suggests a sophisticated crystalline arrangement that balances the properties of its constituent elements.
This material is recognized for being near the thermodynamic hull, indicating it is likely synthesizable under appropriate laboratory conditions. With multiple reported structures across various databases, it remains a subject of interest for researchers investigating tunable electronic properties in multinary selenides.
Key Properties
Cross-validated computational properties for Cd4HgSe5, aggregated across 3 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 Cd4HgSe5, 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. |
|---|---|---|---|---|---|
| P3m1 (No. 156) | trigonal | 0.07 | 0.0046 | -2.916 | 5.73 |
| P3m1 (No. 156) | Trigonal | — | — | — | 5.73 |
| P3m1 (No. 156) | Trigonal | — | — | — | 6.02 |
| P3m1 (No. 156) | Trigonal | — | — | — | 5.96 |
| P3m1 (No. 156) | — | — | — | — | — |
Applications
Where Cd4HgSe5 is used.
Frequently Asked Questions
Common questions about Cd4HgSe5, answered from cross-validated data.
What is Cd4HgSe5?
Cd4HgSe5 is a semimetallic cadmium-mercury-selenide compound that is considered a viable candidate for synthesis due to its favorable thermodynamic stability.
What is Cd4HgSe5 used for?
What is the band gap of Cd4HgSe5?
Is Cd4HgSe5 a metal, semiconductor, or insulator?
Is Cd4HgSe5 thermodynamically stable?
What is the crystal structure of Cd4HgSe5?
What is the density of Cd4HgSe5?
How many polymorphs of Cd4HgSe5 are known?
What elements does Cd4HgSe5 contain?
Where does the data for Cd4HgSe5 come from?
How It Compares
As a unique multinary chalcogenide, Cd4HgSe5 occupies a specialized niche in materials science where the interplay between cadmium and mercury allows for precise control over electronic band structures. Unlike simpler binary or ternary systems, this compound offers a complex structural framework that is highly sought after for exploring semimetallic phases in condensed matter physics.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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