As4O20Sb4

As4O20Sb4 is a stable, semiconducting oxide composed of arsenic, antimony, and oxygen.

AsOSb
Crystal structure of As4O20Sb4 (orthorhombic, P212121 (No. 19))
Ground-state structure · Materials Project
Overview

About As4O20Sb4

As4O20Sb4 is a complex oxide featuring arsenic and antimony, characterized by its semiconducting electronic nature. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural arrangement that is of significant interest for fundamental materials research.

Given its status as a stable compound with multiple documented structural variations across databases, it serves as a key subject for understanding the interplay between p-block elements in oxide frameworks. Its unique composition makes it a valuable candidate for exploring specialized electronic applications.

At a glance

Key Properties

Cross-validated computational properties for As4O20Sb4, aggregated across 4 databases.

Band Gap

0.58–1.76 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
4 databases, 2 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for As4O20Sb4, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P212121 (No. 19)orthorhombic1.760.0000-6.5244.60
P212121 (No. 19)orthorhombic0.580.1782-6.3464.51
No. 0unknown1.17
P212121 (No. 19)
3.46
Uses

Applications

Where As4O20Sb4 is used.

Materials science researchSemiconductor developmentFundamental structural studies
Reference

Frequently Asked Questions

Common questions about As4O20Sb4, answered from cross-validated data.

What is As4O20Sb4?

As4O20Sb4 is a stable, semiconducting oxide composed of arsenic, antimony, and oxygen.

More questions
What is As4O20Sb4 used for?
As4O20Sb4 is used in materials science research, semiconductor development, and fundamental structural studies.
What is the band gap of As4O20Sb4?
As4O20Sb4 has a DFT-computed band gap of 0.58–1.76 eV across 5 reported structures.
Is As4O20Sb4 a metal, semiconductor, or insulator?
With a band gap up to 1.76 eV it is a semiconductor.
Is As4O20Sb4 thermodynamically stable?
Yes — As4O20Sb4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of As4O20Sb4?
The lowest-energy reported polymorph of As4O20Sb4 is orthorhombic symmetry, space group P212121 (No. 19).
What is the density of As4O20Sb4?
The computed density of the ground-state structure of As4O20Sb4 is 4.60 g/cm³.
How many polymorphs of As4O20Sb4 are known?
5 structures of As4O20Sb4 are reported across 4 databases, spanning 2 distinct space groups.
What elements does As4O20Sb4 contain?
As4O20Sb4 contains As, O, and Sb (3 elements).
Where does the data for As4O20Sb4 come from?
As4O20Sb4 data is cross-referenced from materials_project, cod, aflow, omat24.
Comparison

How It Compares

As a thermodynamically stable oxide, this compound occupies a distinct position within the landscape of arsenic-antimony-oxygen systems, where it serves as a benchmark for structural stability and semiconducting behavior in complex multi-element oxides.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
  • aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
  • omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).

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