CdClS2Sb
CdClS2Sb is a semiconducting quaternary inorganic compound that is considered a viable target for laboratory synthesis.
About CdClS2Sb
CdClS2Sb is a complex quaternary compound characterized by its semiconducting electronic nature. As a material that resides near the thermodynamic hull, it is considered a prime candidate for experimental synthesis and further investigation within solid-state chemistry.
Its unique combination of cadmium, chlorine, sulfur, and antimony suggests a versatile structural framework. The existence of multiple reported structures across various databases highlights its significance as a subject of interest for researchers exploring novel inorganic semiconductors.
Key Properties
Cross-validated computational properties for CdClS2Sb, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of CdClS2Sb. Tight agreement means computed properties can be trusted without re-running calculations.
Only 1 independent DFT source (materials_project) reports a hull energy for CdClS2Sb, so cross-source agreement can't be assessed yet.
Reported Structures
Lowest-energy structures reported for CdClS2Sb, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 1.64 | 0.0075 | -3.928 | 4.53 |
| Pnma (No. 62) | orthorhombic | — | — | — | 4.66 |
| Pnma (No. 62) | orthorhombic | — | — | — | 4.52 |
| P4/mmm (No. 123) | tetragonal | — | — | — | 4.14 |
| P4/mmm (No. 123) | tetragonal | — | — | — | 4.43 |
Applications
Where CdClS2Sb is used.
Frequently Asked Questions
Common questions about CdClS2Sb, answered from cross-validated data.
What is CdClS2Sb?
CdClS2Sb is a semiconducting quaternary inorganic compound that is considered a viable target for laboratory synthesis.
What is CdClS2Sb used for?
What is the band gap of CdClS2Sb?
Is CdClS2Sb a metal, semiconductor, or insulator?
Is CdClS2Sb thermodynamically stable?
What is the crystal structure of CdClS2Sb?
What is the density of CdClS2Sb?
How many polymorphs of CdClS2Sb are known?
What elements does CdClS2Sb contain?
Where does the data for CdClS2Sb come from?
How It Compares
As a distinct quaternary phase, CdClS2Sb occupies a specialized niche in materials science. Without direct structural siblings in this specific chemical family, it serves as a unique reference point for understanding how the integration of halide and chalcogenide components influences the electronic behavior of complex semiconducting systems.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
- alexandria — Data from Alexandria. Cite: Schmidt et al., npj Comput. Mater. 10, 200 (2024). (CC-BY-4.0)
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