Zn4CdS5

Zn4CdS5 is a metastable semiconducting compound formed from zinc, cadmium, and sulfur.

CdSZn
Crystal structure of Zn4CdS5 (trigonal, P3m1 (No. 156))
Ground-state structure · Materials Project
Overview

About Zn4CdS5

Zn4CdS5 is a semiconducting material composed of zinc, cadmium, and sulfur. As a metastable phase, it represents a complex arrangement of these elements that offers researchers insight into the structural diversity of metal-sulfide systems.

Its existence is documented across multiple structural databases, highlighting its role as a subject of interest for those investigating the phase stability of ternary and quaternary chalcogenides. The compound serves as a model for understanding how specific atomic configurations influence the electronic properties of mixed-metal sulfides.

At a glance

Key Properties

Cross-validated computational properties for Zn4CdS5, aggregated across 3 databases.

Band Gap

1.46 eV
Range across DFT structures

Energy Above Hull

0.026 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

6
3 databases, 2 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Zn4CdS5, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P3m1 (No. 156)trigonal1.460.0262-10.4914.11
R-3m (No. 166)trigonal0.000.3000-10.2175.08
P3m1 (No. 156)Trigonal4.11
P3m1 (No. 156)Trigonal4.34
P3m1 (No. 156)
P3m1 (No. 156)Trigonal4.29
Reference

Frequently Asked Questions

Common questions about Zn4CdS5, answered from cross-validated data.

What is Zn4CdS5?

Zn4CdS5 is a metastable semiconducting compound formed from zinc, cadmium, and sulfur.

More questions
What is the band gap of Zn4CdS5?
Zn4CdS5 has a DFT-computed band gap of 1.46 eV across 6 reported structures.
Is Zn4CdS5 a metal, semiconductor, or insulator?
With a band gap up to 1.46 eV it is a semiconductor.
Is Zn4CdS5 thermodynamically stable?
Zn4CdS5 has a lowest energy above hull of 0.026 eV/atom (metastable).
What is the crystal structure of Zn4CdS5?
The lowest-energy reported polymorph of Zn4CdS5 is trigonal symmetry, space group P3m1 (No. 156).
What is the density of Zn4CdS5?
The computed density of the ground-state structure of Zn4CdS5 is 4.11 g/cm³.
How many polymorphs of Zn4CdS5 are known?
6 structures of Zn4CdS5 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Zn4CdS5 contain?
Zn4CdS5 contains Cd, S, and Zn (3 elements).
Where does the data for Zn4CdS5 come from?
Zn4CdS5 data is cross-referenced from materials_project, mpaloe, jarvis.
Comparison

How It Compares

As a unique member of the metal-sulfide landscape, Zn4CdS5 occupies a distinct niche where its metastability dictates its specific structural behavior compared to more common, highly stable binary sulfides, providing a specialized case study in complex semiconductor synthesis.

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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