Br10Cs2Hg4
Br10Cs2Hg4 is a thermodynamically stable semiconducting halide compound containing cesium, mercury, and bromine.
About Br10Cs2Hg4
Br10Cs2Hg4 is a complex halide compound composed of cesium, mercury, and bromine. As a thermodynamically stable phase located on the convex hull, it represents a robust crystalline arrangement that maintains structural integrity under standard conditions. Its electronic nature as a semiconductor makes it an intriguing candidate for specialized optoelectronic research where specific charge transport properties are required. The material is well-documented across multiple structural databases, reflecting significant interest in its atomic configuration and potential for solid-state applications. Its unique stoichiometry allows for distinct coordination environments that are critical for understanding mercury-based halide frameworks.
Key Properties
Cross-validated computational properties for Br10Cs2Hg4, 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 Br10Cs2Hg4, 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 | 1.99 | 0.0000 | -2.371 | 5.29 |
| — | — | — | — | — | 3.88 |
| P21/m (No. 11) | — | — | — | — | — |
| P21/m (No. 11) | — | — | — | — | — |
Applications
Where Br10Cs2Hg4 is used.
Frequently Asked Questions
Common questions about Br10Cs2Hg4, answered from cross-validated data.
What is Br10Cs2Hg4?
Br10Cs2Hg4 is a thermodynamically stable semiconducting halide compound containing cesium, mercury, and bromine.
What is Br10Cs2Hg4 used for?
What is the band gap of Br10Cs2Hg4?
Is Br10Cs2Hg4 a metal, semiconductor, or insulator?
Is Br10Cs2Hg4 thermodynamically stable?
What is the crystal structure of Br10Cs2Hg4?
What is the density of Br10Cs2Hg4?
How many polymorphs of Br10Cs2Hg4 are known?
What elements does Br10Cs2Hg4 contain?
Where does the data for Br10Cs2Hg4 come from?
How It Compares
As a unique halide framework, Br10Cs2Hg4 serves as an important reference point for understanding the stability and electronic behavior of mercury-containing ternary systems. It occupies a distinct niche in materials databases, providing structural data that helps define the compositional boundaries of stable semiconducting halides.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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