Be4Cs8F16

Be4Cs8F16 is a stable, insulating fluoride compound formed from beryllium, cesium, and fluorine.

BeCsF
Crystal structure of Be4Cs8F16 (orthorhombic, Pnma (No. 62))
Ground-state structure · Materials Project
Overview

About Be4Cs8F16

Be4Cs8F16 is a complex fluoride compound composed of beryllium, cesium, and fluorine. As a thermodynamically stable phase located on the convex hull, it represents a well-defined structural arrangement within its chemical system.

Characterized as a wide-band-gap insulator, this material exhibits electronic properties typical of highly stable ionic solids. Its existence as a distinct crystalline phase makes it a subject of interest for fundamental studies in solid-state chemistry and materials science.

At a glance

Key Properties

Cross-validated computational properties for Be4Cs8F16, aggregated across 3 databases.

Band Gap

6.70 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
1 DFT source

Structures

4
3 databases, 1 space group
Crystallography

Reported Structures

Lowest-energy structures reported for Be4Cs8F16, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Pnma (No. 62)orthorhombic6.700.0000-5.1874.38
Pnma (No. 62)
Pnma (No. 62)orthorhombic8.93
Pnma (No. 62)
Uses

Applications

Where Be4Cs8F16 is used.

Fundamental solid-state researchInorganic materials synthesis
Reference

Frequently Asked Questions

Common questions about Be4Cs8F16, answered from cross-validated data.

What is Be4Cs8F16?

Be4Cs8F16 is a stable, insulating fluoride compound formed from beryllium, cesium, and fluorine.

More questions
What is Be4Cs8F16 used for?
Be4Cs8F16 is used in fundamental solid-state research and inorganic materials synthesis.
What is the band gap of Be4Cs8F16?
Be4Cs8F16 has a DFT-computed band gap of 6.70 eV across 4 reported structures.
Is Be4Cs8F16 a metal, semiconductor, or insulator?
With a wide band gap up to 6.70 eV it is an insulator / wide-band-gap material.
Is Be4Cs8F16 thermodynamically stable?
Yes — Be4Cs8F16 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Be4Cs8F16?
The lowest-energy reported polymorph of Be4Cs8F16 is orthorhombic symmetry, space group Pnma (No. 62).
What is the density of Be4Cs8F16?
The computed density of the ground-state structure of Be4Cs8F16 is 4.38 g/cm³.
How many polymorphs of Be4Cs8F16 are known?
4 structures of Be4Cs8F16 are reported across 3 databases, spanning 1 distinct space group.
What elements does Be4Cs8F16 contain?
Be4Cs8F16 contains Be, Cs, and F (3 elements).
Where does the data for Be4Cs8F16 come from?
Be4Cs8F16 data is cross-referenced from materials_project, aflow, cod.
Comparison

How It Compares

As a unique fluoride phase, Be4Cs8F16 occupies a specialized position in inorganic chemistry. Without direct structural siblings in this specific class, it serves as a benchmark for understanding the stability and bonding interactions between alkali metals and beryllium-based anionic frameworks.

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

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