Ca2Sn3S8

Ca2Sn3S8 is a metastable semiconducting sulfide material composed of calcium, tin, and sulfur.

CaSSn
Crystal structure of Ca2Sn3S8
Ground-state structure · Materials Project
Overview

About Ca2Sn3S8

Ca2Sn3S8 is a complex ternary sulfide composed of calcium, tin, and sulfur. As a semiconducting material, it represents a specialized composition within the broader family of metal chalcogenides, characterized by its distinct structural arrangement and electronic behavior.

Despite its metastable nature, the compound has been the subject of significant structural investigation, as evidenced by its presence across multiple crystallographic databases. Its unique stoichiometry makes it a compelling candidate for fundamental studies into the stability and electronic tuning of complex sulfide systems.

At a glance

Key Properties

Cross-validated computational properties for Ca2Sn3S8, aggregated across 3 databases.

Band Gap

1.13 eV
Range across DFT structures

Energy Above Hull

0.041 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

9
3 databases, 2 space groups
Uses

Applications

Where Ca2Sn3S8 is used.

Fundamental materials science researchSemiconductor device studiesChalcogenide structural analysis
Reference

Frequently Asked Questions

Common questions about Ca2Sn3S8, answered from cross-validated data.

What is Ca2Sn3S8?

Ca2Sn3S8 is a metastable semiconducting sulfide material composed of calcium, tin, and sulfur.

More questions
What is Ca2Sn3S8 used for?
Ca2Sn3S8 is used in fundamental materials science research, semiconductor device studies, and chalcogenide structural analysis.
What is the band gap of Ca2Sn3S8?
Ca2Sn3S8 has a DFT-computed band gap of 1.13 eV across 9 reported structures.
Is Ca2Sn3S8 a metal, semiconductor, or insulator?
With a band gap up to 1.13 eV it is a semiconductor.
Is Ca2Sn3S8 thermodynamically stable?
Ca2Sn3S8 has a lowest energy above hull of 0.041 eV/atom (metastable).
How many polymorphs of Ca2Sn3S8 are known?
9 structures of Ca2Sn3S8 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Ca2Sn3S8 contain?
Ca2Sn3S8 contains Ca, S, and Sn (3 elements).
Where does the data for Ca2Sn3S8 come from?
Ca2Sn3S8 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique ternary sulfide, Ca2Sn3S8 serves as a distinct example of how calcium and tin can be integrated into a sulfur-based framework. It occupies a niche position in materials science where the interplay between its constituent elements dictates its semiconducting properties and structural complexity.

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

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