B8Be4Ca4O20

B8Be4Ca4O20 is a complex, wide-gap insulating oxide containing boron, beryllium, and calcium that is predicted to be thermodynamically stable enough for synthesis.

BBeCaO
Crystal structure of B8Be4Ca4O20
Ground-state structure · Materials Project
Overview

About B8Be4Ca4O20

B8Be4Ca4O20 is a complex oxide featuring a dense structural arrangement of boron, beryllium, calcium, and oxygen. As a wide-gap insulator, it exhibits the electronic characteristics typical of stable, non-conductive oxide frameworks, making it a subject of interest for fundamental materials science exploration.

This compound is noted for being near the thermodynamic hull, suggesting that it is a likely candidate for experimental synthesis. Its structural complexity and stability profile position it as a unique entry in the landscape of multinary oxide materials.

At a glance

Key Properties

Cross-validated computational properties for B8Be4Ca4O20, aggregated across 3 databases.

Band Gap

5.69 eV
Range across DFT structures

Energy Above Hull

0.004 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
1 DFT source

Structures

3
3 databases, 2 space groups
Uses

Applications

Where B8Be4Ca4O20 is used.

Fundamental materials researchOptical materials development
Reference

Frequently Asked Questions

Common questions about B8Be4Ca4O20, answered from cross-validated data.

What is B8Be4Ca4O20?

B8Be4Ca4O20 is a complex, wide-gap insulating oxide containing boron, beryllium, and calcium that is predicted to be thermodynamically stable enough for synthesis.

More questions
What is B8Be4Ca4O20 used for?
B8Be4Ca4O20 is used in fundamental materials research and optical materials development.
What is the band gap of B8Be4Ca4O20?
B8Be4Ca4O20 has a DFT-computed band gap of 5.69 eV across 3 reported structures.
Is B8Be4Ca4O20 a metal, semiconductor, or insulator?
With a wide band gap up to 5.69 eV it is an insulator / wide-band-gap material.
Is B8Be4Ca4O20 thermodynamically stable?
B8Be4Ca4O20 has a lowest energy above hull of 0.004 eV/atom (near hull (likely stable)).
How many polymorphs of B8Be4Ca4O20 are known?
3 structures of B8Be4Ca4O20 are reported across 3 databases, spanning 2 distinct space groups.
What elements does B8Be4Ca4O20 contain?
B8Be4Ca4O20 contains B, Be, Ca, and O (4 elements).
Where does the data for B8Be4Ca4O20 come from?
B8Be4Ca4O20 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique multinary oxide, B8Be4Ca4O20 represents a specialized structural architecture within the broader family of borate-beryllate compounds, serving as a distinct example of how these elements can organize into stable, insulating crystalline phases.

Data sources & attribution
  • latticegraph — Lattice Graph Materials Intelligence Platform

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