CdSe

cadmium selenide · cadmoselite

Cadmium selenide is a stable semiconducting compound widely used in high-performance optoelectronic and light-sensing technologies.

Crystal structure of CdSe (hexagonal, P63mc (No. 186))
Ground-state structure · Materials Project
Overview

About cadmium selenide

Cadmium selenide is a prominent member of the II-VI semiconductor family, characterized by its reliable semiconducting nature and thermodynamic stability. As a material that sits firmly on the convex hull, it represents a highly stable configuration, making it a cornerstone for fundamental research and industrial development in photonics.

Due to its extensive structural data, this compound is one of the most well-characterized materials in its class. It is widely utilized in the development of light-emitting diodes, photovoltaic cells, and biological imaging probes, where its electronic behavior provides precise control over light-matter interactions.

At a glance

Key Properties

Cross-validated computational properties for cadmium selenide, aggregated across 6 databases.

Band Gap

0.22–1.17 eV
Range across DFT structures · ground state: narrow gap

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

Stable
4 DFT sources

Structures

105
6 databases, 24 space groups
Validation

Cross-Source DFT Agreement

How well independent DFT databases agree on the thermodynamics of CdSe. Tight agreement means computed properties can be trusted without re-running calculations.

Agreement Score

1.00 / 1.00
Trust tier: high

Hull Spread

0.000 eV
EAH spread across sources

Sources Compared

3
jarvis, materials_project, oqmd

Space Group Consensus

Mixed (most: P63mc (No. 186))
Crystallography

Reported Structures

Lowest-energy structures reported for CdSe, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
——0.790.0000-0.635—
P63mc (No. 186)hexagonal0.560.0000-3.0665.48
C2 (No. 5)monoclinic0.340.0000-0.599—
F-43m (No. 216)cubic0.510.0006-3.0655.49
——0.770.0010-0.634—
F-43m (No. 216)cubic0.460.0094-0.589—
F-43m (No. 216)cubic0.460.0094-0.589—
P63mc (No. 186)hexagonal0.500.0119-0.587—
Fm-3m (No. 225)cubic0.000.0826-0.516—
Fm-3m (No. 225)cubic0.000.0943-0.504—
——0.390.1079-0.527—
——0.000.1427-0.492—
Uses

Applications

Where cadmium selenide is used.

Light-emitting diodesPhotovoltaic cellsBiological imagingOptical sensorsLaser diodes
Reference

Frequently Asked Questions

Common questions about cadmium selenide, answered from cross-validated data.

What is CdSe?

Cadmium selenide is a stable semiconducting compound widely used in high-performance optoelectronic and light-sensing technologies.

More questions
What is CdSe used for?
cadmium selenide (CdSe) is used in light-emitting diodes, photovoltaic cells, biological imaging, optical sensors, and laser diodes.
What is the band gap of CdSe?
cadmium selenide (CdSe) has a DFT-computed band gap of 0.22–1.17 eV across 105 reported structures. Standard DFT underestimates band gaps, so the measured gap is typically larger.
Is CdSe a metal, semiconductor, or insulator?
DFT predicts a band gap of up to 1.17 eV (a semiconductor). Measured gaps are typically larger.
Is CdSe thermodynamically stable?
Yes — cadmium selenide (CdSe) sits on the convex hull (energy above hull 0 eV/atom), i.e. stable.
What is the crystal structure of CdSe?
The reference structure of cadmium selenide (CdSe) is hexagonal symmetry, space group P63mc (No. 186).
What is the density of CdSe?
The computed density of the ground-state structure of cadmium selenide (CdSe) is 5.48 g/cm³.
How many polymorphs of CdSe are known?
105 structures of CdSe are reported across 6 databases, spanning 24 distinct space groups.
What elements does CdSe contain?
cadmium selenide (CdSe) contains Cd and Se (2 elements).
Where does the data for CdSe come from?
CdSe data is cross-referenced from oqmd, materials_project, jarvis.
Comparison

How It Compares

Within the ii-vi semiconductors class.

Within the II-VI semiconductor family, CdSe occupies a central position alongside CdS and CdTe. While it shares the characteristic semiconducting behavior of its siblings, CdSe is distinguished by its exceptional structural diversity and stability, often serving as a primary reference point when comparing the optoelectronic performance of cadmium-based chalcogenides.

Explore

Related Compounds

Other II-VI Semiconductors in the database.

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)
  • 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)

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