As4Be4Cs4O16

As4Be4Cs4O16 is a stable, wide-gap insulating quaternary oxide that exhibits significant structural variety.

AsBeCsO
Crystal structure of As4Be4Cs4O16 (orthorhombic, Pna21 (No. 33))
Ground-state structure · Materials Project
Overview

About As4Be4Cs4O16

As4Be4Cs4O16 is a complex inorganic compound characterized by its insulating electronic nature and high thermodynamic stability. Its position on the convex hull suggests a robust crystalline arrangement that resists decomposition under standard conditions. The material is notable for its structural diversity, with multiple reported configurations across major databases. This structural flexibility makes it a subject of interest for researchers investigating the interplay between its constituent elements and long-range atomic order.

At a glance

Key Properties

Cross-validated computational properties for As4Be4Cs4O16, aggregated across 4 databases.

Band Gap

3.88 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, 1 space group
Crystallography

Reported Structures

Lowest-energy structures reported for As4Be4Cs4O16, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Pna21 (No. 33)orthorhombic3.880.0000-6.4514.32
Pna21 (No. 33)
4.16
Pna21 (No. 33)orthorhombic1.10
4.16
Uses

Applications

Where As4Be4Cs4O16 is used.

Materials science researchSolid-state chemistry studiesFundamental structural analysis
Reference

Frequently Asked Questions

Common questions about As4Be4Cs4O16, answered from cross-validated data.

What is As4Be4Cs4O16?

As4Be4Cs4O16 is a stable, wide-gap insulating quaternary oxide that exhibits significant structural variety.

More questions
What is As4Be4Cs4O16 used for?
As4Be4Cs4O16 is used in materials science research, solid-state chemistry studies, and fundamental structural analysis.
What is the band gap of As4Be4Cs4O16?
As4Be4Cs4O16 has a DFT-computed band gap of 3.88 eV across 5 reported structures.
Is As4Be4Cs4O16 a metal, semiconductor, or insulator?
With a wide band gap up to 3.88 eV it is an insulator / wide-band-gap material.
Is As4Be4Cs4O16 thermodynamically stable?
Yes — As4Be4Cs4O16 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of As4Be4Cs4O16?
The lowest-energy reported polymorph of As4Be4Cs4O16 is orthorhombic symmetry, space group Pna21 (No. 33).
What is the density of As4Be4Cs4O16?
The computed density of the ground-state structure of As4Be4Cs4O16 is 4.32 g/cm³.
How many polymorphs of As4Be4Cs4O16 are known?
5 structures of As4Be4Cs4O16 are reported across 4 databases, spanning 1 distinct space group.
What elements does As4Be4Cs4O16 contain?
As4Be4Cs4O16 contains As, Be, Cs, and O (4 elements).
Where does the data for As4Be4Cs4O16 come from?
As4Be4Cs4O16 data is cross-referenced from materials_project, aflow, omat24, cod.
Comparison

How It Compares

As a unique inorganic compound, As4Be4Cs4O16 represents a specialized structural architecture within its chemical family. Unlike more common binary or ternary oxides, this quaternary system offers a distinct coordination environment that distinguishes it from simpler insulating materials, providing a foundation for studying complex lattice dynamics.

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).
  • cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).

Analyze As4Be4Cs4O16 in the Lattice Graph platform

Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.

Explore the Platform →