B16Ca2H8O30

B16Ca2H8O30 is a thermodynamically stable, insulating calcium borate compound known for its complex structural arrangements.

BCaHO
Crystal structure of B16Ca2H8O30
Ground-state structure · Materials Project
Overview

About B16Ca2H8O30

B16Ca2H8O30 is a complex borate-based inorganic compound characterized by its insulating electronic structure. Its position on the convex hull indicates that it is a thermodynamically stable phase, making it a significant subject for structural analysis and materials characterization. The material is noted for its structural complexity, as evidenced by multiple reported crystallographic configurations. Its stable nature and insulating properties make it a subject of interest for fundamental studies into the behavior of hydrated borate frameworks.

At a glance

Key Properties

Cross-validated computational properties for B16Ca2H8O30, aggregated across 3 databases.

Band Gap

5.59 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
1 DFT source

Structures

6
3 databases, 2 space groups
Uses

Applications

Where B16Ca2H8O30 is used.

Materials science researchCrystallographic studiesFundamental inorganic chemistry
Reference

Frequently Asked Questions

Common questions about B16Ca2H8O30, answered from cross-validated data.

What is B16Ca2H8O30?

B16Ca2H8O30 is a thermodynamically stable, insulating calcium borate compound known for its complex structural arrangements.

More questions
What is B16Ca2H8O30 used for?
B16Ca2H8O30 is used in materials science research, crystallographic studies, and fundamental inorganic chemistry.
What is the band gap of B16Ca2H8O30?
B16Ca2H8O30 has a DFT-computed band gap of 5.59 eV across 6 reported structures.
Is B16Ca2H8O30 a metal, semiconductor, or insulator?
With a wide band gap up to 5.59 eV it is an insulator / wide-band-gap material.
Is B16Ca2H8O30 thermodynamically stable?
Yes — B16Ca2H8O30 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of B16Ca2H8O30 are known?
6 structures of B16Ca2H8O30 are reported across 3 databases, spanning 2 distinct space groups.
What elements does B16Ca2H8O30 contain?
B16Ca2H8O30 contains B, Ca, H, and O (4 elements).
Where does the data for B16Ca2H8O30 come from?
B16Ca2H8O30 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique hydrated borate, this compound serves as a distinct reference point for understanding the structural diversity of calcium-boron-oxygen systems. It occupies a stable niche in the chemical landscape, providing a baseline for investigating how hydration and stoichiometry influence the stability of complex borate lattices.

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

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