Cs2HgBr4
Cs2HgBr4 is a stable semiconducting halide compound composed of cesium, mercury, and bromine.
About Cs2HgBr4
Cs2HgBr4 is a complex halide compound that exhibits semiconducting electronic behavior. As a thermodynamically stable phase located on the convex hull, it represents a robust crystalline arrangement within its chemical system.
This material is of significant interest for researchers investigating the interplay between heavy metal cations and halide frameworks. Its stability and electronic characteristics make it a subject of study for potential optoelectronic and sensing applications.
Key Properties
Cross-validated computational properties for Cs2HgBr4, 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 Cs2HgBr4, 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. |
|---|---|---|---|---|---|
| P21/m (No. 11) | monoclinic | 2.81 | 0.0000 | -23.236 | 4.46 |
| P21/c (No. 14) | monoclinic | 2.47 | 0.0000 | -2.806 | 4.12 |
| P21/c (No. 14) | monoclinic | 2.49 | 0.0027 | -2.803 | 4.49 |
| Pnma (No. 62) | orthorhombic | 2.69 | 0.0059 | -2.800 | 4.47 |
| P21/c (No. 14) | Monoclinic | — | — | — | 4.12 |
| P21/c (No. 14) | Monoclinic | — | — | — | 4.23 |
| P21/c (No. 14) | Monoclinic | — | — | — | 4.26 |
| No. 0 | unknown | — | — | — | 1.15 |
| No. 0 | unknown | — | — | — | 1.17 |
| No. 0 | unknown | — | — | — | 1.15 |
| No. 0 | unknown | — | — | — | 1.16 |
Applications
Where Cs2HgBr4 is used.
Frequently Asked Questions
Common questions about Cs2HgBr4, answered from cross-validated data.
What is Cs2HgBr4?
Cs2HgBr4 is a stable semiconducting halide compound composed of cesium, mercury, and bromine.
What is Cs2HgBr4 used for?
What is the band gap of Cs2HgBr4?
Is Cs2HgBr4 a metal, semiconductor, or insulator?
Is Cs2HgBr4 thermodynamically stable?
What is the crystal structure of Cs2HgBr4?
What is the density of Cs2HgBr4?
How many polymorphs of Cs2HgBr4 are known?
What elements does Cs2HgBr4 contain?
Where does the data for Cs2HgBr4 come from?
How It Compares
As a distinct member of the cesium-mercury-bromide system, this compound serves as a foundational reference point for understanding the structural diversity and thermodynamic landscape of similar halide-based materials.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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