Cs4Cu4Se16
Cs4Cu4Se16 is a stable, semiconducting quaternary chalcogenide compound composed of cesium, copper, and selenium.
About Cs4Cu4Se16
Cs4Cu4Se16 is a complex quaternary chalcogenide that exists as a thermodynamically stable phase on the convex hull. Its composition, involving cesium, copper, and selenium, points to a structural architecture typical of sophisticated inorganic semiconductors with potential for optoelectronic tuning.
As a stable semiconducting material, it represents a significant subject for researchers investigating the interplay between heavy alkali metals and transition metal chalcogenide frameworks. Its existence across multiple databases highlights its importance as a well-defined crystalline compound within the broader landscape of solid-state chemistry.
Key Properties
Cross-validated computational properties for Cs4Cu4Se16, 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 Cs4Cu4Se16, 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. |
|---|---|---|---|---|---|
| P212121 (No. 19) | orthorhombic | 1.10 | 0.0000 | -16.043 | 4.70 |
| — | — | — | — | — | 4.51 |
| P212121 (No. 19) | — | — | — | — | — |
Applications
Where Cs4Cu4Se16 is used.
Frequently Asked Questions
Common questions about Cs4Cu4Se16, answered from cross-validated data.
What is Cs4Cu4Se16?
Cs4Cu4Se16 is a stable, semiconducting quaternary chalcogenide compound composed of cesium, copper, and selenium.
What is Cs4Cu4Se16 used for?
What is the band gap of Cs4Cu4Se16?
Is Cs4Cu4Se16 a metal, semiconductor, or insulator?
Is Cs4Cu4Se16 thermodynamically stable?
What is the crystal structure of Cs4Cu4Se16?
What is the density of Cs4Cu4Se16?
How many polymorphs of Cs4Cu4Se16 are known?
What elements does Cs4Cu4Se16 contain?
Where does the data for Cs4Cu4Se16 come from?
How It Compares
As a standalone member of its specific quaternary system, Cs4Cu4Se16 serves as a primary reference point for understanding how the integration of cesium and copper into a selenium-rich lattice influences electronic behavior and structural stability.
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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