Er4S12Sc4

Er4S12Sc4 is a semiconducting quaternary sulfide compound that is considered thermodynamically stable enough for laboratory synthesis.

ErSSc
Crystal structure of Er4S12Sc4
Ground-state structure · Materials Project
Overview

About Er4S12Sc4

Er4S12Sc4 is a quaternary sulfide compound composed of erbium, scandium, and sulfur. As a semiconducting material, it exhibits electronic characteristics that make it a subject of interest for fundamental solid-state research and potential optoelectronic applications.

This compound is identified as a near-hull phase, suggesting it is thermodynamically accessible and likely synthesizable under appropriate experimental conditions. Its structural diversity, evidenced by multiple reported configurations across databases, highlights its complexity as a chalcogenide material.

At a glance

Key Properties

Cross-validated computational properties for Er4S12Sc4, aggregated across 3 databases.

Band Gap

1.58–1.76 eV
Range across DFT structures

Energy Above Hull

0.013 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

4
3 databases, 2 space groups
Uses

Applications

Where Er4S12Sc4 is used.

Solid-state researchMaterials science explorationSemiconductor development
Reference

Frequently Asked Questions

Common questions about Er4S12Sc4, answered from cross-validated data.

What is Er4S12Sc4?

Er4S12Sc4 is a semiconducting quaternary sulfide compound that is considered thermodynamically stable enough for laboratory synthesis.

More questions
What is Er4S12Sc4 used for?
Er4S12Sc4 is used in solid-state research, materials science exploration, and semiconductor development.
What is the band gap of Er4S12Sc4?
Er4S12Sc4 has a DFT-computed band gap of 1.58–1.76 eV across 4 reported structures.
Is Er4S12Sc4 a metal, semiconductor, or insulator?
With a band gap up to 1.76 eV it is a semiconductor.
Is Er4S12Sc4 thermodynamically stable?
Er4S12Sc4 has a lowest energy above hull of 0.013 eV/atom (near hull (likely stable)).
How many polymorphs of Er4S12Sc4 are known?
4 structures of Er4S12Sc4 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Er4S12Sc4 contain?
Er4S12Sc4 contains Er, S, and Sc (3 elements).
Where does the data for Er4S12Sc4 come from?
Er4S12Sc4 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a quaternary sulfide, Er4S12Sc4 represents a specialized niche in inorganic materials science where the combination of rare-earth and transition metal elements allows for unique crystal lattice arrangements. While it shares the general characteristics of complex metal sulfides, its specific stoichiometry and electronic behavior distinguish it as a unique candidate for further experimental exploration.

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

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