Na3As

Na3As is a stable, semiconducting binary compound formed from sodium and arsenic.

AsNa
Crystal structure of Na3As
Ground-state structure · Materials Project
Overview

About Na3As

Na3As is a binary pnictide compound composed of sodium and arsenic. As a thermodynamically stable material located on the convex hull, it exhibits robust structural integrity and serves as a significant subject for solid-state chemistry investigations.

The compound functions as a semiconductor, making it a point of interest for researchers exploring electronic properties in alkali metal-based materials. With numerous reported structures documented across various databases, it represents a well-characterized system within its chemical family.

At a glance

Key Properties

Cross-validated computational properties for Na3As, aggregated across 3 databases.

Band Gap

0.06–0.12 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

16
3 databases, 3 space groups
Uses

Applications

Where Na3As is used.

Materials science researchSolid-state electronics studies
Reference

Frequently Asked Questions

Common questions about Na3As, answered from cross-validated data.

What is Na3As?

Na3As is a stable, semiconducting binary compound formed from sodium and arsenic.

More questions
What is Na3As used for?
Na3As is used in materials science research and solid-state electronics studies.
What is the band gap of Na3As?
Na3As has a DFT-computed band gap of 0.06–0.12 eV across 16 reported structures.
Is Na3As a metal, semiconductor, or insulator?
With a band gap up to 0.12 eV it is a semiconductor.
Is Na3As thermodynamically stable?
Yes — Na3As sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Na3As are known?
16 structures of Na3As are reported across 3 databases, spanning 3 distinct space groups.
What elements does Na3As contain?
Na3As contains As and Na (2 elements).
Where does the data for Na3As come from?
Na3As data is cross-referenced from latticegraph.
Comparison

How It Compares

As a standalone representative of its specific pnictide composition, Na3As serves as a fundamental reference point for understanding the bonding and electronic behavior of sodium-arsenic systems in the absence of more complex ternary or quaternary analogs.

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

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