Cl4Cu4Se8
Cl4Cu4Se8 is a thermodynamically stable, semiconducting inorganic compound containing copper, selenium, and chlorine.
About Cl4Cu4Se8
Cl4Cu4Se8 is a complex inorganic compound composed of chlorine, copper, and selenium. As a thermodynamically stable material situated on the convex hull, it represents a robust configuration of these elements that maintains structural integrity under standard conditions. Its electronic character is defined as semiconducting, making it a subject of interest for fundamental studies in solid-state chemistry and materials science.
With multiple reported structures across various databases, this compound is a well-documented entity within its compositional space. Its stability and semiconducting nature suggest potential utility in electronic or optoelectronic research, where the precise arrangement of copper and chalcogenide atoms plays a critical role in determining material performance.
Key Properties
Cross-validated computational properties for Cl4Cu4Se8, 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 Cl4Cu4Se8, 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/c (No. 14) | monoclinic | 0.81 | 0.0000 | -11.742 | 4.32 |
| — | — | — | — | — | 4.72 |
| P21/c (No. 14) | — | — | — | — | — |
| — | — | — | — | — | 4.45 |
| — | — | — | — | — | 4.04 |
| — | — | — | — | — | 4.15 |
Applications
Where Cl4Cu4Se8 is used.
Frequently Asked Questions
Common questions about Cl4Cu4Se8, answered from cross-validated data.
What is Cl4Cu4Se8?
Cl4Cu4Se8 is a thermodynamically stable, semiconducting inorganic compound containing copper, selenium, and chlorine.
What is Cl4Cu4Se8 used for?
What is the band gap of Cl4Cu4Se8?
Is Cl4Cu4Se8 a metal, semiconductor, or insulator?
Is Cl4Cu4Se8 thermodynamically stable?
What is the crystal structure of Cl4Cu4Se8?
What is the density of Cl4Cu4Se8?
How many polymorphs of Cl4Cu4Se8 are known?
What elements does Cl4Cu4Se8 contain?
Where does the data for Cl4Cu4Se8 come from?
How It Compares
As a unique member of its compositional class, Cl4Cu4Se8 serves as a benchmark for understanding the structural diversity of copper-based selenium-chlorine systems. Its position on the convex hull establishes it as a baseline for thermodynamic stability when evaluating related ternary or quaternary compounds in this chemical family.
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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