Th3As4

Th3As4 is a stable semiconducting thorium arsenide compound.

AsTh
Crystal structure of Th3As4
Ground-state structure · Materials Project
Overview

About Th3As4

Th3As4 is a thorium-based arsenide that exhibits semiconducting electronic behavior. As a thermodynamically stable phase located on the convex hull, it represents a robust crystalline arrangement within the thorium-arsenic binary system. Its stability and electronic properties make it a subject of interest for researchers investigating the fundamental physics of actinide-based semiconductors. The compound has been documented across multiple structural databases, reflecting its well-defined nature in materials science. It serves as a key example of how heavy elements like thorium can form stable, semiconducting compounds with pnictogens.

At a glance

Key Properties

Cross-validated computational properties for Th3As4, aggregated across 3 databases.

Band Gap

0.27 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

5
3 databases, 1 space group
Reference

Frequently Asked Questions

Common questions about Th3As4, answered from cross-validated data.

What is Th3As4?

Th3As4 is a stable semiconducting thorium arsenide compound.

More questions
What is the band gap of Th3As4?
Th3As4 has a DFT-computed band gap of 0.27 eV across 5 reported structures.
Is Th3As4 a metal, semiconductor, or insulator?
With a band gap up to 0.27 eV it is a semiconductor.
Is Th3As4 thermodynamically stable?
Yes — Th3As4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Th3As4 are known?
5 structures of Th3As4 are reported across 3 databases, spanning 1 distinct space group.
What elements does Th3As4 contain?
Th3As4 contains As and Th (2 elements).
Where does the data for Th3As4 come from?
Th3As4 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a stable binary phase, Th3As4 represents a distinct structural configuration within the landscape of thorium arsenides, serving as a foundational reference point for understanding the electronic and thermodynamic trends of actinide-arsenic materials.

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

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