CaSn2S5

CaSn2S5 is a metastable semiconducting ternary sulfide used in materials science research to study complex chalcogenide structures.

CaSSn
Crystal structure of CaSn2S5
Ground-state structure · Materials Project
Overview

About CaSn2S5

CaSn2S5 is a complex ternary sulfide composed of calcium, tin, and sulfur. As a semiconducting material, it exhibits electronic properties that make it a subject of interest for researchers investigating new functional sulfides. Its metastable nature suggests a complex synthesis landscape, requiring precise control over thermodynamic conditions to stabilize its specific atomic arrangement. The compound is primarily utilized in fundamental materials science research to explore the structural diversity of tin-based chalcogenides. By examining its crystalline framework, scientists aim to better understand the interplay between its constituent elements and the resulting electronic behavior. This research is vital for expanding the library of semiconductors available for future optoelectronic or energy-related technologies.

At a glance

Key Properties

Cross-validated computational properties for CaSn2S5, aggregated across 2 databases.

Band Gap

0.33–1.59 eV
Range across DFT structures

Energy Above Hull

0.085 eV/atom
Best (lowest) across sources

Stability

Metastable
1 DFT source

Structures

30
2 databases, 8 space groups
Uses

Applications

Where CaSn2S5 is used.

Materials science researchSemiconductor developmentFundamental structural studies
Reference

Frequently Asked Questions

Common questions about CaSn2S5, answered from cross-validated data.

What is CaSn2S5?

CaSn2S5 is a metastable semiconducting ternary sulfide used in materials science research to study complex chalcogenide structures.

More questions
What is CaSn2S5 used for?
CaSn2S5 is used in materials science research, semiconductor development, and fundamental structural studies.
What is the band gap of CaSn2S5?
CaSn2S5 has a DFT-computed band gap of 0.33–1.59 eV across 30 reported structures.
Is CaSn2S5 a metal, semiconductor, or insulator?
With a band gap up to 1.59 eV it is a semiconductor.
Is CaSn2S5 thermodynamically stable?
CaSn2S5 has a lowest energy above hull of 0.085 eV/atom (metastable).
How many polymorphs of CaSn2S5 are known?
30 structures of CaSn2S5 are reported across 2 databases, spanning 8 distinct space groups.
What elements does CaSn2S5 contain?
CaSn2S5 contains Ca, S, and Sn (3 elements).
Where does the data for CaSn2S5 come from?
CaSn2S5 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a member of the broader family of ternary metal sulfides, CaSn2S5 occupies a distinct position due to its specific stoichiometry and metastable electronic character. While many sulfides in this class are synthesized for their robust stability, this compound offers a unique case study in how structural complexity can be maintained in a metastable state, providing a valuable contrast to more common, highly stable sulfide semiconductors.

Data sources & attribution
  • latticegraph — Lattice Graph Materials Intelligence Platform

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