As4Na12S12

As4Na12S12 is a thermodynamically stable, semiconducting inorganic compound containing arsenic, sodium, and sulfur.

AsNaS
Crystal structure of As4Na12S12
Ground-state structure · Materials Project
Overview

About As4Na12S12

As4Na12S12 is a complex inorganic compound composed of arsenic, sodium, and sulfur. It is characterized by its semiconducting electronic nature and sits firmly on the convex hull, indicating significant thermodynamic stability under standard conditions. The material has garnered interest in structural research, with multiple distinct crystalline configurations documented across various databases. Its unique atomic arrangement makes it a subject of ongoing investigation for researchers focused on chalcogenide-based semiconductors.

At a glance

Key Properties

Cross-validated computational properties for As4Na12S12, aggregated across 3 databases.

Band Gap

2.52 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

7
3 databases, 1 space group
Reference

Frequently Asked Questions

Common questions about As4Na12S12, answered from cross-validated data.

What is As4Na12S12?

As4Na12S12 is a thermodynamically stable, semiconducting inorganic compound containing arsenic, sodium, and sulfur.

More questions
What is the band gap of As4Na12S12?
As4Na12S12 has a DFT-computed band gap of 2.52 eV across 7 reported structures.
Is As4Na12S12 a metal, semiconductor, or insulator?
With a band gap up to 2.52 eV it is a semiconductor.
Is As4Na12S12 thermodynamically stable?
Yes — As4Na12S12 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of As4Na12S12 are known?
7 structures of As4Na12S12 are reported across 3 databases, spanning 1 distinct space group.
What elements does As4Na12S12 contain?
As4Na12S12 contains As, Na, and S (3 elements).
Where does the data for As4Na12S12 come from?
As4Na12S12 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique inorganic compound, As4Na12S12 represents a distinct structural arrangement within the broader field of arsenic-sulfur-sodium chemistry, serving as a stable reference point for future studies in this chemical space.

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

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