Nd4O4Se3

Nd4O4Se3 is a thermodynamically stable semiconducting oxyselenide containing neodymium, oxygen, and selenium.

NdOSe
Crystal structure of Nd4O4Se3
Ground-state structure · Materials Project
Overview

About Nd4O4Se3

Nd4O4Se3 is a complex oxyselenide compound that exhibits semiconducting electronic behavior. As a thermodynamically stable phase located on the convex hull, it represents a robust crystalline arrangement of neodymium, oxygen, and selenium atoms.

This material is of significant interest for researchers investigating the intersection of rare-earth chemistry and chalcogenide physics. Its stable structural configuration makes it a compelling subject for studies aimed at tailoring electronic properties for specialized solid-state applications.

At a glance

Key Properties

Cross-validated computational properties for Nd4O4Se3, aggregated across 3 databases.

Band Gap

1.32 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

3
3 databases, 1 space group
Uses

Applications

Where Nd4O4Se3 is used.

Solid-state researchMaterials science explorationSemiconductor development
Reference

Frequently Asked Questions

Common questions about Nd4O4Se3, answered from cross-validated data.

What is Nd4O4Se3?

Nd4O4Se3 is a thermodynamically stable semiconducting oxyselenide containing neodymium, oxygen, and selenium.

More questions
What is Nd4O4Se3 used for?
Nd4O4Se3 is used in solid-state research, materials science exploration, and semiconductor development.
What is the band gap of Nd4O4Se3?
Nd4O4Se3 has a DFT-computed band gap of 1.32 eV across 3 reported structures.
Is Nd4O4Se3 a metal, semiconductor, or insulator?
With a band gap up to 1.32 eV it is a semiconductor.
Is Nd4O4Se3 thermodynamically stable?
Yes — Nd4O4Se3 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Nd4O4Se3 are known?
3 structures of Nd4O4Se3 are reported across 3 databases, spanning 1 distinct space group.
What elements does Nd4O4Se3 contain?
Nd4O4Se3 contains Nd, O, and Se (3 elements).
Where does the data for Nd4O4Se3 come from?
Nd4O4Se3 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a distinct oxyselenide, Nd4O4Se3 occupies a unique niche in materials science, serving as a stable representative of rare-earth-based chalcogenide systems that are frequently explored for their tunable electronic and optical characteristics.

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

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