Sr3As4

Sr3As4 is a thermodynamically stable semiconducting compound composed of strontium and arsenic.

AsSr
Crystal structure of Sr3As4 (orthorhombic, Fdd2 (No. 43))
Ground-state structure · Materials Project
Overview

About Sr3As4

Sr3As4 is a distinct strontium-based arsenide that exhibits semiconducting electronic behavior. As a thermodynamically stable compound residing on the convex hull, it represents a robust phase within the strontium-arsenic binary system.

Its structural complexity is highlighted by multiple reported configurations across various databases, making it a subject of interest for fundamental materials science. This stability and electronic nature suggest potential utility in specialized semiconductor applications where precise control over charge transport is required.

At a glance

Key Properties

Cross-validated computational properties for Sr3As4, aggregated across 3 databases.

Band Gap

0.65 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

6
3 databases, 3 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Sr3As4, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Fdd2 (No. 43)orthorhombic0.620.0000-16.0284.62
P1 (No. 1)triclinic0.650.0062-16.0224.56
P1 (No. 1)Triclinic4.56
Cc (No. 9)Monoclinic4.67
Cc (No. 9)Monoclinic4.68
Fdd2 (No. 43)
Uses

Applications

Where Sr3As4 is used.

Semiconductor researchSolid-state chemistry studiesMaterials science exploration
Reference

Frequently Asked Questions

Common questions about Sr3As4, answered from cross-validated data.

What is Sr3As4?

Sr3As4 is a thermodynamically stable semiconducting compound composed of strontium and arsenic.

More questions
What is Sr3As4 used for?
Sr3As4 is used in semiconductor research, solid-state chemistry studies, and materials science exploration.
What is the band gap of Sr3As4?
Sr3As4 has a DFT-computed band gap of 0.65 eV across 6 reported structures.
Is Sr3As4 a metal, semiconductor, or insulator?
With a band gap up to 0.65 eV it is a semiconductor.
Is Sr3As4 thermodynamically stable?
Yes — Sr3As4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Sr3As4?
The lowest-energy reported polymorph of Sr3As4 is orthorhombic symmetry, space group Fdd2 (No. 43).
What is the density of Sr3As4?
The computed density of the ground-state structure of Sr3As4 is 4.62 g/cm³.
How many polymorphs of Sr3As4 are known?
6 structures of Sr3As4 are reported across 3 databases, spanning 3 distinct space groups.
What elements does Sr3As4 contain?
Sr3As4 contains As and Sr (2 elements).
Where does the data for Sr3As4 come from?
Sr3As4 data is cross-referenced from materials_project, mpaloe, jarvis.
Comparison

How It Compares

As a member of the strontium-arsenic binary family, Sr3As4 serves as a foundational example of how alkaline-earth pnictides can achieve thermodynamic stability while maintaining semiconducting properties. It occupies a unique position in the phase space, providing a stable reference point for understanding the bonding and electronic trends inherent to this class of inorganic materials.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • mpaloe — Data from mpaloe.
  • jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).

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