NaSe2

NaSe2 is a thermodynamically stable semiconducting compound formed from sodium and selenium.

NaSe
Crystal structure of NaSe2
Ground-state structure · Materials Project
Overview

About NaSe2

NaSe2 is a binary compound composed of sodium and selenium that exhibits semiconducting electronic behavior. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement within its chemical system. Its stability makes it a subject of significant interest for researchers investigating the fundamental properties of alkali metal chalcogenides. With a high volume of reported structures across multiple databases, this material is well-documented in computational studies. Its electronic character suggests potential utility in specialized semiconductor applications where specific band structures are required for device performance.

At a glance

Key Properties

Cross-validated computational properties for NaSe2, aggregated across 3 databases.

Band Gap

1.18 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

72
3 databases, 16 space groups
Uses

Applications

Where NaSe2 is used.

semiconductor researchmaterials science explorationsolid-state chemistry studies
Reference

Frequently Asked Questions

Common questions about NaSe2, answered from cross-validated data.

What is NaSe2?

NaSe2 is a thermodynamically stable semiconducting compound formed from sodium and selenium.

More questions
What is NaSe2 used for?
NaSe2 is used in semiconductor research, materials science exploration, and solid-state chemistry studies.
What is the band gap of NaSe2?
NaSe2 has a DFT-computed band gap of 1.18 eV across 72 reported structures.
Is NaSe2 a metal, semiconductor, or insulator?
With a band gap up to 1.18 eV it is a semiconductor.
Is NaSe2 thermodynamically stable?
Yes — NaSe2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of NaSe2 are known?
72 structures of NaSe2 are reported across 3 databases, spanning 16 distinct space groups.
What elements does NaSe2 contain?
NaSe2 contains Na and Se (2 elements).
Where does the data for NaSe2 come from?
NaSe2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a thermodynamically stable member of the sodium-selenium system, NaSe2 serves as a foundational reference point for understanding the phase space of alkali metal selenides. It occupies a distinct position in the chemical landscape, providing a stable baseline for comparing other complex or metastable chalcogenide phases that may exist within the same elemental family.

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

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