B4Ca4H4O20Si4

B4Ca4H4O20Si4 is a complex, insulating borosilicate compound characterized by its structural diversity and thermodynamic stability.

BCaHOSi
Crystal structure of B4Ca4H4O20Si4
Ground-state structure · Materials Project
Overview

About B4Ca4H4O20Si4

B4Ca4H4O20Si4 is a complex inorganic compound featuring a sophisticated arrangement of boron, calcium, hydrogen, oxygen, and silicon. As a wide-gap insulating material, it exhibits electronic properties characteristic of stable dielectric frameworks often found in mineralogical systems.

The compound is recognized for its proximity to the thermodynamic hull, suggesting it is a viable candidate for synthesis and experimental characterization. Its structural complexity, evidenced by numerous reported configurations, highlights its role as a significant subject for researchers investigating multi-component oxide systems.

At a glance

Key Properties

Cross-validated computational properties for B4Ca4H4O20Si4, aggregated across 3 databases.

Band Gap

4.28–5.39 eV
Range across DFT structures

Energy Above Hull

0.002 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
1 DFT source

Structures

46
3 databases, 2 space groups
Uses

Applications

Where B4Ca4H4O20Si4 is used.

Materials science researchSolid-state chemistry modelingMineralogical structural analysis
Reference

Frequently Asked Questions

Common questions about B4Ca4H4O20Si4, answered from cross-validated data.

What is B4Ca4H4O20Si4?

B4Ca4H4O20Si4 is a complex, insulating borosilicate compound characterized by its structural diversity and thermodynamic stability.

More questions
What is B4Ca4H4O20Si4 used for?
B4Ca4H4O20Si4 is used in materials science research, solid-state chemistry modeling, and mineralogical structural analysis.
What is the band gap of B4Ca4H4O20Si4?
B4Ca4H4O20Si4 has a DFT-computed band gap of 4.28–5.39 eV across 46 reported structures.
Is B4Ca4H4O20Si4 a metal, semiconductor, or insulator?
With a wide band gap up to 5.39 eV it is an insulator / wide-band-gap material.
Is B4Ca4H4O20Si4 thermodynamically stable?
B4Ca4H4O20Si4 has a lowest energy above hull of 0.002 eV/atom (near hull (likely stable)).
How many polymorphs of B4Ca4H4O20Si4 are known?
46 structures of B4Ca4H4O20Si4 are reported across 3 databases, spanning 2 distinct space groups.
What elements does B4Ca4H4O20Si4 contain?
B4Ca4H4O20Si4 contains B, Ca, H, O, and Si (5 elements).
Where does the data for B4Ca4H4O20Si4 come from?
B4Ca4H4O20Si4 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique multi-element framework, B4Ca4H4O20Si4 represents an intriguing case study within the broader landscape of complex borosilicates. Unlike simpler binary or ternary oxides, this compound occupies a distinct structural niche that allows for intricate atomic coordination, positioning it as a specialized material for fundamental studies in solid-state chemistry.

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

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