Zn3CdS4
Zn3CdS4 is a semiconducting quaternary sulfide compound that is theoretically stable enough to be synthesized for use in advanced electronic applications.
About Zn3CdS4
Zn3CdS4 is a quaternary sulfide semiconductor that integrates zinc and cadmium into a complex lattice structure. Its electronic character suggests potential utility in light-harvesting or sensing applications where band structure engineering is critical for performance.
Because it is identified as a near-hull material, Zn3CdS4 is considered a viable target for experimental synthesis. The existence of multiple reported structural configurations indicates a rich phase space, making it a subject of interest for materials scientists exploring new chalcogenide architectures.
Key Properties
Cross-validated computational properties for Zn3CdS4, 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 Zn3CdS4. 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 Zn3CdS4, 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. |
|---|---|---|---|---|---|
| P-43m (No. 215) | cubic | 1.72 | 0.0146 | -0.818 | — |
| — | — | 1.83 | 0.0177 | -0.897 | — |
| P-43m (No. 215) | cubic | 1.68 | 0.0185 | -10.769 | 4.33 |
| P-43m (No. 215) | cubic | — | — | — | 4.19 |
| P-43m (No. 215) | cubic | — | — | — | 4.38 |
| P-43m (No. 215) | cubic | — | — | — | 4.33 |
Applications
Where Zn3CdS4 is used.
Frequently Asked Questions
Common questions about Zn3CdS4, answered from cross-validated data.
What is Zn3CdS4?
Zn3CdS4 is a semiconducting quaternary sulfide compound that is theoretically stable enough to be synthesized for use in advanced electronic applications.
What is Zn3CdS4 used for?
What is the band gap of Zn3CdS4?
Is Zn3CdS4 a metal, semiconductor, or insulator?
Is Zn3CdS4 thermodynamically stable?
What is the crystal structure of Zn3CdS4?
How many polymorphs of Zn3CdS4 are known?
What elements does Zn3CdS4 contain?
Where does the data for Zn3CdS4 come from?
How It Compares
As a quaternary sulfide, Zn3CdS4 occupies a specialized niche in semiconductor research, offering a more complex chemical environment than simpler binary or ternary counterparts. Its ability to be synthesized near the thermodynamic hull allows for structural versatility that is often sought after in developing tunable optoelectronic materials.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- 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)
- 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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