Al2As4K2O14

Al2As4K2O14 is a wide-gap insulating inorganic compound containing aluminum, arsenic, potassium, and oxygen that is considered a candidate for experimental synthesis.

AlAsKO
Crystal structure of Al2As4K2O14 (triclinic, P-1 (No. 2))
Ground-state structure · Materials Project
Overview

About Al2As4K2O14

Al2As4K2O14 is a complex inorganic compound composed of aluminum, arsenic, potassium, and oxygen. As a wide-gap insulating material, it exhibits electronic properties characteristic of stable dielectric frameworks, making it a subject of interest for structural chemistry studies.

Its status as a near-hull phase indicates that it is energetically favorable enough to be considered a viable target for experimental synthesis. The existence of multiple reported structures across databases highlights its importance in understanding the diverse coordination environments possible within this chemical system.

At a glance

Key Properties

Cross-validated computational properties for Al2As4K2O14, aggregated across 3 databases.

Band Gap

3.04 eV
Range across DFT structures

Energy Above Hull

0.002 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

3
3 databases, 1 space group
Crystallography

Reported Structures

Lowest-energy structures reported for Al2As4K2O14, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P-1 (No. 2)triclinic3.040.0024-6.6603.49
P-1 (No. 2)
2.61
Uses

Applications

Where Al2As4K2O14 is used.

Materials science researchSolid-state structural studiesDielectric material investigations
Reference

Frequently Asked Questions

Common questions about Al2As4K2O14, answered from cross-validated data.

What is Al2As4K2O14?

Al2As4K2O14 is a wide-gap insulating inorganic compound containing aluminum, arsenic, potassium, and oxygen that is considered a candidate for experimental synthesis.

More questions
What is Al2As4K2O14 used for?
Al2As4K2O14 is used in materials science research, solid-state structural studies, and dielectric material investigations.
What is the band gap of Al2As4K2O14?
Al2As4K2O14 has a DFT-computed band gap of 3.04 eV across 3 reported structures.
Is Al2As4K2O14 a metal, semiconductor, or insulator?
With a wide band gap up to 3.04 eV it is an insulator / wide-band-gap material.
Is Al2As4K2O14 thermodynamically stable?
Al2As4K2O14 has a lowest energy above hull of 0.002 eV/atom (near hull (likely stable)).
What is the crystal structure of Al2As4K2O14?
The lowest-energy reported polymorph of Al2As4K2O14 is triclinic symmetry, space group P-1 (No. 2).
What is the density of Al2As4K2O14?
The computed density of the ground-state structure of Al2As4K2O14 is 3.49 g/cm³.
How many polymorphs of Al2As4K2O14 are known?
3 structures of Al2As4K2O14 are reported across 3 databases, spanning 1 distinct space group.
What elements does Al2As4K2O14 contain?
Al2As4K2O14 contains Al, As, K, and O (4 elements).
Where does the data for Al2As4K2O14 come from?
Al2As4K2O14 data is cross-referenced from materials_project, aflow, omat24.
Comparison

How It Compares

As a unique inorganic compound, Al2As4K2O14 serves as a representative example of complex arsenate-based structures. Within the broader landscape of insulating oxides, it occupies a specialized niche where the interplay between aluminum and arsenic polyhedra defines its structural stability and electronic behavior.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • 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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