Cd2S
Cd2S is a semiconducting compound composed of cadmium and sulfur that is primarily recognized for its structural complexity within the II-VI material class.
About Cd2S
Cd2S is a binary semiconductor belonging to the II-VI class of materials. It represents a specific stoichiometric arrangement of cadmium and sulfur that has been the subject of extensive structural investigation across multiple databases. Its electronic character positions it within the semiconductor family, though its thermodynamic profile suggests it is metastable compared to other configurations. This compound is of interest to researchers studying the phase space of cadmium-chalcogenide systems. While its stability characteristics distinguish it from more common phases, its structural diversity highlights the complex bonding behavior inherent in II-VI semiconductor materials.
Key Properties
Cross-validated computational properties for Cd2S, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of Cd2S. 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 Cd2S, 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. |
|---|---|---|---|---|---|
| P3m1 (No. 156) | trigonal | 0.62 | 0.2224 | -16.377 | 5.40 |
| Pmmm (No. 47) | orthorhombic | 0.38 | 0.3162 | -0.134 | — |
| — | — | 0.00 | 0.4605 | -0.066 | — |
| — | — | 0.00 | 0.4898 | -0.037 | — |
| — | — | 0.45 | 0.6827 | 0.156 | — |
| — | — | 0.00 | 0.7711 | 0.244 | — |
| P-1 (No. 2) | triclinic | — | — | — | 5.51 |
| Pm (No. 6) | monoclinic | — | — | — | 5.08 |
| P1 (No. 1) | triclinic | — | — | — | 4.26 |
| Cm (No. 8) | monoclinic | — | — | — | 4.46 |
| P-1 (No. 2) | triclinic | — | — | — | 4.96 |
| P-1 (No. 2) | triclinic | — | — | — | 5.58 |
Applications
Where Cd2S is used.
Frequently Asked Questions
Common questions about Cd2S, answered from cross-validated data.
What is Cd2S?
Cd2S is a semiconducting compound composed of cadmium and sulfur that is primarily recognized for its structural complexity within the II-VI material class.
What is Cd2S used for?
What is the band gap of Cd2S?
Is Cd2S a metal, semiconductor, or insulator?
Is Cd2S thermodynamically stable?
What is the crystal structure of Cd2S?
What is the density of Cd2S?
How many polymorphs of Cd2S are known?
What elements does Cd2S contain?
Where does the data for Cd2S come from?
How It Compares
Within the ii-vi semiconductors class.
Unlike the highly stable and widely utilized CdS, which serves as a cornerstone for thin-film photovoltaics, Cd2S resides in a less stable region of the phase diagram. While siblings like CdSe and CdTe are well-characterized for their optoelectronic utility, Cd2S is primarily studied for its structural variety rather than as a standard industrial semiconductor.
Related Compounds
Other II-VI Semiconductors in the database.
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)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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