CdS2
Cadmium disulfide is a binary inorganic compound composed of cadmium and sulfur. It is primarily studied for its potential properties in advanced semiconductor research and optoelectronic material development.
Overview
Key Properties
Cross-validated computational properties for CdS2, 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.
1.16 eV
Range across DFT structures
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.
0.051 eV/atom
Best (lowest) across sources
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.
Metastable
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
82
3 databases, 18 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for CdS2, 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. |
|---|---|---|---|---|---|
| Pa-3 (No. 205) | cubic | 1.16 | 0.0508 | -12.525 | 4.57 |
| C2/m (No. 12) | Monoclinic | — | — | — | 6.11 |
| P-1 (No. 2) | Triclinic | — | — | — | 5.06 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.75 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.54 |
| C2 (No. 5) | Monoclinic | — | — | — | 4.43 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.42 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.73 |
| P-1 (No. 2) | Triclinic | — | — | — | 5.14 |
| P1 (No. 1) | Triclinic | — | — | — | 3.73 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.04 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.93 |
Uses
Applications
Where CdS2 is used.
Semiconductor researchOptoelectronic device developmentMaterials science studies
Reference
Frequently Asked Questions
Common questions about CdS2, answered from cross-validated data.
What is CdS2?
Cadmium disulfide is a binary inorganic compound composed of cadmium and sulfur. It is primarily studied for its potential properties in advanced semiconductor research and optoelectronic material development.
More questions
What is CdS2 used for?
CdS2 is used in semiconductor research, optoelectronic device development, and materials science studies.
What is the band gap of CdS2?
CdS2 has a DFT-computed band gap of 1.16 eV across 82 reported structures.
Is CdS2 a metal, semiconductor, or insulator?
With a band gap up to 1.16 eV it is a semiconductor.
Is CdS2 thermodynamically stable?
CdS2 has a lowest energy above hull of 0.051 eV/atom (metastable).
What is the crystal structure of CdS2?
The lowest-energy reported polymorph of CdS2 is cubic symmetry, space group Pa-3 (No. 205).
What is the density of CdS2?
The computed density of the ground-state structure of CdS2 is 4.57 g/cm³.
How many polymorphs of CdS2 are known?
82 structures of CdS2 are reported across 3 databases, spanning 18 distinct space groups.
What elements does CdS2 contain?
CdS2 contains Cd and S (2 elements).
Where does the data for CdS2 come from?
CdS2 data is cross-referenced from materials_project, mpaloe.
Explore
Related Compounds
Other II-VI Semiconductors in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
Analyze CdS2 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →