ZnCdS2
ZnCdS2 is a semiconducting ternary sulfide that is considered a promising candidate for synthesis due to its favorable thermodynamic stability.
About ZnCdS2
ZnCdS2 is a semiconducting compound composed of zinc, cadmium, and sulfur. Its position near the thermodynamic hull suggests it is a viable candidate for experimental synthesis and potential integration into advanced material systems.
This material is of interest due to its electronic properties, which are characteristic of chalcogenide semiconductors. With multiple reported structures, it offers a diverse structural landscape for researchers investigating tunable electronic behavior in complex sulfide systems.
Key Properties
Cross-validated computational properties for ZnCdS2, 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 ZnCdS2. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for ZnCdS2, 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. |
|---|---|---|---|---|---|
| — | — | 1.51 | 0.0072 | -0.866 | — |
| P-4m2 (No. 115) | tetragonal | 1.37 | 0.0155 | -0.763 | — |
| — | — | 1.58 | 0.0180 | -0.855 | — |
| P-4m2 (No. 115) | tetragonal | 1.37 | 0.0202 | -12.120 | 4.49 |
| P3m1 (No. 156) | trigonal | 1.21 | 0.0241 | -0.755 | — |
| — | — | 1.50 | 0.0334 | -0.840 | — |
| P3m1 (No. 156) | trigonal | 1.33 | 0.0338 | -12.107 | 4.35 |
| P-4m2 (No. 115) | tetragonal | — | — | — | 4.35 |
| P-4m2 (No. 115) | tetragonal | — | — | — | 4.54 |
| P3m1 (No. 156) | trigonal | — | — | — | 4.51 |
| P-4m2 (No. 115) | tetragonal | — | — | — | 4.49 |
| P3m1 (No. 156) | trigonal | — | — | — | 4.35 |
Applications
Where ZnCdS2 is used.
Frequently Asked Questions
Common questions about ZnCdS2, answered from cross-validated data.
What is ZnCdS2?
ZnCdS2 is a semiconducting ternary sulfide that is considered a promising candidate for synthesis due to its favorable thermodynamic stability.
What is ZnCdS2 used for?
What is the band gap of ZnCdS2?
Is ZnCdS2 a metal, semiconductor, or insulator?
Is ZnCdS2 thermodynamically stable?
What is the crystal structure of ZnCdS2?
How many polymorphs of ZnCdS2 are known?
What elements does ZnCdS2 contain?
Where does the data for ZnCdS2 come from?
How It Compares
As a ternary sulfide, ZnCdS2 represents a distinct compositional point in the broader landscape of zinc-cadmium-sulfur materials, serving as a bridge between the well-known binary sulfides of its constituent elements.
Data sources & attribution
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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