CeMgSe3

CeMgSe3 is a semiconducting ternary selenide compound that is currently a subject of interest in computational materials science.

CeMgSe
Crystal structure of CeMgSe3
Ground-state structure · Materials Project
Overview

About CeMgSe3

CeMgSe3 is a ternary selenide compound featuring cerium and magnesium. As a semiconducting material, it represents a specialized niche in chalcogenide research, where the interplay between rare-earth elements and alkaline earth metals dictates its electronic behavior.

While the compound has been identified across multiple structural databases, its thermodynamic profile suggests it resides above the stability hull. This indicates that the material likely requires specific synthesis conditions to be realized, marking it as a subject of interest for computational materials discovery.

At a glance

Key Properties

Cross-validated computational properties for CeMgSe3, aggregated across 3 databases.

Band Gap

0.15–0.88 eV
Range across DFT structures

Energy Above Hull

0.102 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

6
3 databases, 2 space groups
Reference

Frequently Asked Questions

Common questions about CeMgSe3, answered from cross-validated data.

What is CeMgSe3?

CeMgSe3 is a semiconducting ternary selenide compound that is currently a subject of interest in computational materials science.

More questions
What is the band gap of CeMgSe3?
CeMgSe3 has a DFT-computed band gap of 0.15–0.88 eV across 6 reported structures.
Is CeMgSe3 a metal, semiconductor, or insulator?
With a band gap up to 0.88 eV it is a semiconductor.
Is CeMgSe3 thermodynamically stable?
CeMgSe3 has a lowest energy above hull of 0.102 eV/atom (above hull).
How many polymorphs of CeMgSe3 are known?
6 structures of CeMgSe3 are reported across 3 databases, spanning 2 distinct space groups.
What elements does CeMgSe3 contain?
CeMgSe3 contains Ce, Mg, and Se (3 elements).
Where does the data for CeMgSe3 come from?
CeMgSe3 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a ternary selenide, CeMgSe3 serves as a representative example of the structural diversity found in rare-earth magnesium chalcogenides, functioning as a prototype for exploring how lanthanide incorporation influences the electronic properties of these complex systems.

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

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