SiH2O

SiH2O is an insulating, silicon-based compound that is typically characterized as a metastable species of interest in theoretical materials research.

HOSi
Crystal structure of SiH2O
Ground-state structure · Materials Project
Overview

About SiH2O

SiH2O is a silicon-based compound characterized by its wide-band-gap insulating electronic profile. It exists as a complex chemical species that has been identified across multiple structural databases, reflecting significant interest in its potential configurations despite its challenging thermodynamic profile. Its composition, involving silicon, oxygen, and hydrogen, places it in a specialized category of reactive precursors or transient intermediates often studied in computational chemistry. Because it sits above the thermodynamic hull, it is generally considered an unstable species that requires specific conditions for formation or observation. Its study is vital for understanding the fundamental bonding behaviors of silicon in hydrogenated oxide environments.

At a glance

Key Properties

Cross-validated computational properties for SiH2O, aggregated across 3 databases.

Band Gap

3.08 eV
Range across DFT structures

Energy Above Hull

0.661 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

8
3 databases, 2 space groups
Uses

Applications

Where SiH2O is used.

Computational materials modelingChemical vapor deposition precursor studiesFundamental silicon chemistry research
Reference

Frequently Asked Questions

Common questions about SiH2O, answered from cross-validated data.

What is SiH2O?

SiH2O is an insulating, silicon-based compound that is typically characterized as a metastable species of interest in theoretical materials research.

More questions
What is SiH2O used for?
SiH2O is used in computational materials modeling, chemical vapor deposition precursor studies, and fundamental silicon chemistry research.
What is the band gap of SiH2O?
SiH2O has a DFT-computed band gap of 3.08 eV across 8 reported structures.
Is SiH2O a metal, semiconductor, or insulator?
With a wide band gap up to 3.08 eV it is an insulator / wide-band-gap material.
Is SiH2O thermodynamically stable?
SiH2O has a lowest energy above hull of 0.661 eV/atom (above hull).
How many polymorphs of SiH2O are known?
8 structures of SiH2O are reported across 3 databases, spanning 2 distinct space groups.
What elements does SiH2O contain?
SiH2O contains H, O, and Si (3 elements).
Where does the data for SiH2O come from?
SiH2O data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique silicon-based species, SiH2O occupies a distinct niche in materials research. Without direct structural siblings in its immediate class, it serves as a critical reference point for investigating the limits of stability in silicon-oxygen-hydrogen systems, often acting as a benchmark for computational models exploring metastable phases.

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

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