Al4As4Cu4O20

Al4As4Cu4O20 is a metastable, semiconducting inorganic compound containing aluminum, arsenic, copper, and oxygen.

AlAsCuO
Crystal structure of Al4As4Cu4O20 (monoclinic, P21/c (No. 14))
Ground-state structure · Materials Project
Overview

About Al4As4Cu4O20

Al4As4Cu4O20 is a complex inorganic compound composed of aluminum, arsenic, copper, and oxygen. As a semiconducting material, it exhibits electronic properties that make it a subject of interest for specialized research into solid-state chemistry and electronic behavior.

Due to its metastable nature, this compound represents a unique phase within its chemical system. It is currently documented through a limited number of structural configurations, highlighting its role as an emerging material that requires further investigation to fully understand its synthesis and stability profiles.

At a glance

Key Properties

Cross-validated computational properties for Al4As4Cu4O20, aggregated across 3 databases.

Band Gap

0.45 eV
Range across DFT structures

Energy Above Hull

0.039 eV/atom
Best (lowest) across sources

Stability

Metastable
1 DFT source

Structures

3
3 databases, 2 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Al4As4Cu4O20, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P21/c (No. 14)monoclinic0.450.0390-6.6963.76
No. 0unknown0.98
P21/c (No. 14)
Reference

Frequently Asked Questions

Common questions about Al4As4Cu4O20, answered from cross-validated data.

What is Al4As4Cu4O20?

Al4As4Cu4O20 is a metastable, semiconducting inorganic compound containing aluminum, arsenic, copper, and oxygen.

More questions
What is the band gap of Al4As4Cu4O20?
Al4As4Cu4O20 has a DFT-computed band gap of 0.45 eV across 3 reported structures.
Is Al4As4Cu4O20 a metal, semiconductor, or insulator?
With a band gap up to 0.45 eV it is a semiconductor.
Is Al4As4Cu4O20 thermodynamically stable?
Al4As4Cu4O20 has a lowest energy above hull of 0.039 eV/atom (metastable).
What is the crystal structure of Al4As4Cu4O20?
The lowest-energy reported polymorph of Al4As4Cu4O20 is monoclinic symmetry, space group P21/c (No. 14).
What is the density of Al4As4Cu4O20?
The computed density of the ground-state structure of Al4As4Cu4O20 is 3.76 g/cm³.
How many polymorphs of Al4As4Cu4O20 are known?
3 structures of Al4As4Cu4O20 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Al4As4Cu4O20 contain?
Al4As4Cu4O20 contains Al, As, Cu, and O (4 elements).
Where does the data for Al4As4Cu4O20 come from?
Al4As4Cu4O20 data is cross-referenced from materials_project, cod, aflow.
Comparison

How It Compares

As a unique inorganic phase, Al4As4Cu4O20 occupies a distinct niche in materials research. Without direct structural siblings in its immediate class, it serves as a standalone example of how aluminum, arsenic, copper, and oxygen can arrange into complex, metastable semiconducting frameworks.

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).

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