CaB3H5O8

CaB3H5O8 is a thermodynamically stable, insulating calcium borate compound that is considered a viable target for laboratory synthesis.

BCaHO
Crystal structure of CaB3H5O8
Ground-state structure · Materials Project
Overview

About CaB3H5O8

CaB3H5O8 is a complex inorganic compound composed of calcium, boron, hydrogen, and oxygen. As a wide-band-gap insulator, it exhibits electronic properties characteristic of stable dielectric materials, making it a subject of interest for fundamental solid-state studies.

This material is classified as near-hull, indicating that it is thermodynamically stable and likely synthesizable under appropriate conditions. Its structural profile suggests a robust framework that warrants further investigation for specialized applications in materials science.

At a glance

Key Properties

Cross-validated computational properties for CaB3H5O8, aggregated across 3 databases.

Band Gap

5.52–5.70 eV
Range across DFT structures

Energy Above Hull

0.010 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
1 DFT source

Structures

4
3 databases, 3 space groups
Uses

Applications

Where CaB3H5O8 is used.

Fundamental materials researchSolid-state chemistry studiesDielectric material development
Reference

Frequently Asked Questions

Common questions about CaB3H5O8, answered from cross-validated data.

What is CaB3H5O8?

CaB3H5O8 is a thermodynamically stable, insulating calcium borate compound that is considered a viable target for laboratory synthesis.

More questions
What is CaB3H5O8 used for?
CaB3H5O8 is used in fundamental materials research, solid-state chemistry studies, and dielectric material development.
What is the band gap of CaB3H5O8?
CaB3H5O8 has a DFT-computed band gap of 5.52–5.70 eV across 4 reported structures.
Is CaB3H5O8 a metal, semiconductor, or insulator?
With a wide band gap up to 5.70 eV it is an insulator / wide-band-gap material.
Is CaB3H5O8 thermodynamically stable?
CaB3H5O8 has a lowest energy above hull of 0.010 eV/atom (near hull (likely stable)).
How many polymorphs of CaB3H5O8 are known?
4 structures of CaB3H5O8 are reported across 3 databases, spanning 3 distinct space groups.
What elements does CaB3H5O8 contain?
CaB3H5O8 contains B, Ca, H, and O (4 elements).
Where does the data for CaB3H5O8 come from?
CaB3H5O8 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique inorganic compound, CaB3H5O8 represents a distinct structural configuration within its chemical family. While it currently stands as a singular entry in its immediate research context, its stability profile positions it as a promising candidate for comparative studies against other hydrated calcium borates.

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

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