Cl2Se2
Cl2Se2 is a semiconducting selenium chloride compound that is considered a likely candidate for laboratory synthesis.
About Cl2Se2
Cl2Se2 is a selenium-based halide that exhibits semiconducting electronic behavior. Its structural configuration suggests a complex bonding environment, making it a subject of interest for researchers investigating chalcogen-halogen interactions.
As a near-hull compound, it occupies a position of marginal thermodynamic stability, indicating that it is a viable candidate for experimental synthesis. The significant volume of reported structural data underscores its relevance in fundamental materials science research.
Key Properties
Cross-validated computational properties for Cl2Se2, aggregated across 4 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 Cl2Se2, 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 | 2.20 | 0.0192 | -10.431 | 2.98 |
| P63/mmc (No. 194) | — | — | — | — | — |
| Imma (No. 74) | — | — | — | — | — |
| Cmcm (No. 63) | — | — | — | — | — |
| P21/m (No. 11) | — | — | — | — | — |
| P4/nmm (No. 129) | — | — | — | — | — |
| Fd-3m (No. 227) | — | — | — | — | — |
| Fd-3m (No. 227) | — | — | — | — | — |
| Imma (No. 74) | — | — | — | — | — |
| Pmmn (No. 59) | — | — | — | — | — |
| Cmcm (No. 63) | — | — | — | — | — |
| P21/m (No. 11) | — | — | — | — | — |
Applications
Where Cl2Se2 is used.
Frequently Asked Questions
Common questions about Cl2Se2, answered from cross-validated data.
What is Cl2Se2?
Cl2Se2 is a semiconducting selenium chloride compound that is considered a likely candidate for laboratory synthesis.
What is Cl2Se2 used for?
What is the band gap of Cl2Se2?
Is Cl2Se2 a metal, semiconductor, or insulator?
Is Cl2Se2 thermodynamically stable?
What is the crystal structure of Cl2Se2?
What is the density of Cl2Se2?
How many polymorphs of Cl2Se2 are known?
What elements does Cl2Se2 contain?
Where does the data for Cl2Se2 come from?
How It Compares
As an unclassified selenium chloride, Cl2Se2 represents a distinct chemical system within the broader landscape of chalcogen halides. It serves as a critical reference point for understanding the stability and electronic trends of binary selenium-chlorine species.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
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