Cd2S
This compound is a binary inorganic material composed of cadmium and sulfur. It is primarily studied for its potential properties in semiconductor research and optoelectronic applications.
Overview
Key Properties
Cross-validated computational properties for Cd2S, 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.
0.62 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.
0.222 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.
Above hull
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
44
3 databases, 12 space groups
Crystallography
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 |
| Cm (No. 8) | Monoclinic | — | — | — | 4.37 |
| P-1 (No. 2) | Triclinic | — | — | — | 5.15 |
| P-1 (No. 2) | Triclinic | — | — | — | 6.08 |
| P-1 (No. 2) | Triclinic | — | — | — | 5.58 |
| P-1 (No. 2) | Triclinic | — | — | — | 5.20 |
| P1 (No. 1) | Triclinic | — | — | — | 5.92 |
| P21/m (No. 11) | Monoclinic | — | — | — | 6.28 |
| P21/m (No. 11) | Monoclinic | — | — | — | 6.67 |
| Pm (No. 6) | Monoclinic | — | — | — | 5.08 |
| P21/m (No. 11) | Monoclinic | — | — | — | 4.78 |
| P21/m (No. 11) | Monoclinic | — | — | — | 4.71 |
Uses
Applications
Where Cd2S is used.
Semiconductor researchOptoelectronic device development
Reference
Frequently Asked Questions
Common questions about Cd2S, answered from cross-validated data.
What is Cd2S?
This compound is a binary inorganic material composed of cadmium and sulfur. It is primarily studied for its potential properties in semiconductor research and optoelectronic applications.
More questions
What is Cd2S used for?
Cd2S is used in semiconductor research and optoelectronic device development.
What is the band gap of Cd2S?
Cd2S has a DFT-computed band gap of 0.62 eV across 44 reported structures.
Is Cd2S a metal, semiconductor, or insulator?
With a band gap up to 0.62 eV it is a semiconductor.
Is Cd2S thermodynamically stable?
Cd2S has a lowest energy above hull of 0.222 eV/atom (above hull).
What is the crystal structure of Cd2S?
The lowest-energy reported polymorph of Cd2S is trigonal symmetry, space group P3m1 (No. 156).
What is the density of Cd2S?
The computed density of the ground-state structure of Cd2S is 5.40 g/cm³.
How many polymorphs of Cd2S are known?
44 structures of Cd2S are reported across 3 databases, spanning 12 distinct space groups.
What elements does Cd2S contain?
Cd2S contains Cd and S (2 elements).
Where does the data for Cd2S come from?
Cd2S data is cross-referenced from materials_project, mpaloe, jarvis.
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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.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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