Si3O

Si3O is a semiconducting silicon suboxide phase that is generally considered thermodynamically unstable.

OSi
Crystal structure of Si3O
Ground-state structure · Materials Project
Overview

About Si3O

Si3O is a silicon suboxide characterized by its semiconducting electronic nature. As a non-stoichiometric phase, it represents a unique arrangement of silicon and oxygen atoms that deviates from the common silica framework.

Due to its position above the thermodynamic hull, this compound is considered metastable or unstable under standard conditions. Its existence is primarily observed in specialized experimental or computational contexts where specific synthesis pathways allow for its formation.

At a glance

Key Properties

Cross-validated computational properties for Si3O, aggregated across 2 databases.

Band Gap

0.19 eV
Range across DFT structures

Energy Above Hull

0.445 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

62
2 databases, 18 space groups
Synthesis

Synthesis Routes

Literature-extracted synthesis procedures targeting Si3O.

Sol Gel
Procedure available · ceder_sol_gel
Sol Gel
Procedure available · ceder_sol_gel
Sol Gel
Procedure available · ceder_sol_gel
Sol Gel
Procedure available · ceder_sol_gel
Sol Gel
Procedure available · ceder_sol_gel
Sol Gel
Procedure available · ceder_sol_gel
Uses

Applications

Where Si3O is used.

Fundamental materials researchSemiconductor physics studies
Reference

Frequently Asked Questions

Common questions about Si3O, answered from cross-validated data.

What is Si3O?

Si3O is a semiconducting silicon suboxide phase that is generally considered thermodynamically unstable.

More questions
What is Si3O used for?
Si3O is used in fundamental materials research and semiconductor physics studies.
What is the band gap of Si3O?
Si3O has a DFT-computed band gap of 0.19 eV across 62 reported structures.
Is Si3O a metal, semiconductor, or insulator?
With a band gap up to 0.19 eV it is a semiconductor.
Is Si3O thermodynamically stable?
Si3O has a lowest energy above hull of 0.445 eV/atom (above hull).
How many polymorphs of Si3O are known?
62 structures of Si3O are reported across 2 databases, spanning 18 distinct space groups.
How is Si3O synthesized?
Literature-reported routes for Si3O include sol gel, solid state (10 procedures documented).
What elements does Si3O contain?
Si3O contains O and Si (2 elements).
Where does the data for Si3O come from?
Si3O data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique silicon-rich oxide phase, Si3O occupies a distinct niche in materials science, serving as a point of interest for researchers studying the transition between elemental silicon and stable silicon dioxide insulators.

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

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