CaS2Sr

CaS2Sr is a metastable semiconducting ternary sulfide containing calcium, strontium, and sulfur.

CaSSr
Crystal structure of CaS2Sr
Ground-state structure · Materials Project
Overview

About CaS2Sr

CaS2Sr is a ternary sulfide compound composed of calcium, strontium, and sulfur. As a semiconducting material, it represents a specialized niche in inorganic chemistry where the interplay between alkaline earth metals and chalcogens dictates its electronic behavior.

Because it exists in a metastable state, this compound is a subject of interest for researchers investigating phase stability and structural evolution. Its existence across multiple databases highlights its role as a target for synthesis studies aimed at understanding complex sulfide frameworks.

At a glance

Key Properties

Cross-validated computational properties for CaS2Sr, aggregated across 3 databases.

Band Gap

2.42 eV
Range across DFT structures

Energy Above Hull

0.029 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

5
3 databases, 1 space group
Reference

Frequently Asked Questions

Common questions about CaS2Sr, answered from cross-validated data.

What is CaS2Sr?

CaS2Sr is a metastable semiconducting ternary sulfide containing calcium, strontium, and sulfur.

More questions
What is the band gap of CaS2Sr?
CaS2Sr has a DFT-computed band gap of 2.42 eV across 5 reported structures.
Is CaS2Sr a metal, semiconductor, or insulator?
With a band gap up to 2.42 eV it is a semiconductor.
Is CaS2Sr thermodynamically stable?
CaS2Sr has a lowest energy above hull of 0.029 eV/atom (metastable).
How many polymorphs of CaS2Sr are known?
5 structures of CaS2Sr are reported across 3 databases, spanning 1 distinct space group.
What elements does CaS2Sr contain?
CaS2Sr contains Ca, S, and Sr (3 elements).
Where does the data for CaS2Sr come from?
CaS2Sr data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique ternary sulfide, CaS2Sr occupies a distinct position in materials research, serving as a model for how the substitution of calcium and strontium influences the electronic landscape of sulfur-based lattices.

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

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