TiSiO4

TiSiO4 is a semiconducting titanium silicate compound that exists as a metastable phase in solid-state chemistry.

OSiTi
Crystal structure of TiSiO4
Ground-state structure · Materials Project
Overview

About TiSiO4

TiSiO4 is a complex titanium silicate that exhibits semiconducting electronic properties. Its structural diversity is highlighted by its presence in multiple crystallographic databases, reflecting significant interest in its potential atomic arrangements.

As a material that sits above the thermodynamic hull, it is considered a metastable phase. This characteristic makes it a subject of intrigue for researchers investigating synthesis pathways and the stabilization of non-equilibrium oxide structures in materials science.

At a glance

Key Properties

Cross-validated computational properties for TiSiO4, aggregated across 3 databases.

Band Gap

1.04–2.57 eV
Range across DFT structures

Energy Above Hull

0.160 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

13
3 databases, 4 space groups
Synthesis

Synthesis Routes

Literature-extracted synthesis procedures targeting TiSiO4.

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 TiSiO4 is used.

Materials science researchSolid-state chemistry studiesCatalysis exploration
Reference

Frequently Asked Questions

Common questions about TiSiO4, answered from cross-validated data.

What is TiSiO4?

TiSiO4 is a semiconducting titanium silicate compound that exists as a metastable phase in solid-state chemistry.

More questions
What is TiSiO4 used for?
TiSiO4 is used in materials science research, solid-state chemistry studies, and catalysis exploration.
What is the band gap of TiSiO4?
TiSiO4 has a DFT-computed band gap of 1.04–2.57 eV across 13 reported structures.
Is TiSiO4 a metal, semiconductor, or insulator?
With a band gap up to 2.57 eV it is a semiconductor.
Is TiSiO4 thermodynamically stable?
TiSiO4 has a lowest energy above hull of 0.160 eV/atom (above hull).
How many polymorphs of TiSiO4 are known?
13 structures of TiSiO4 are reported across 3 databases, spanning 4 distinct space groups.
How is TiSiO4 synthesized?
Literature-reported routes for TiSiO4 include sol gel, solid state (7 procedures documented).
What elements does TiSiO4 contain?
TiSiO4 contains O, Si, and Ti (3 elements).
Where does the data for TiSiO4 come from?
TiSiO4 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique titanium silicate, TiSiO4 occupies a specialized niche within the broader landscape of metal-silicate compounds. Unlike more common, thermodynamically stable silicates, this phase represents a challenging synthetic target that provides valuable insights into the limits of structural formation in oxide systems.

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

Analyze TiSiO4 in the Lattice Graph platform

Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.

Explore the Platform →