LiFeSiO4

LiFeSiO4 is a synthetically accessible, insulating lithium-iron silicate compound that serves as a valuable subject for structural and electronic materials research.

FeLiOSi
Crystal structure of LiFeSiO4
Ground-state structure · Materials Project
Overview

About LiFeSiO4

LiFeSiO4 is an insulating silicate compound characterized by its proximity to the thermodynamic stability hull, suggesting it is a viable candidate for experimental synthesis. As a member of the broader family of lithium-containing silicates, it represents a significant area of interest for researchers investigating new solid-state materials.

With over a hundred reported structures documented across various databases, this compound is a data-rich subject for materials science exploration. Its electronic character as a wide-gap insulator makes it a compelling study for those looking to understand the fundamental physics of lithium-iron-silicon systems.

At a glance

Key Properties

Cross-validated computational properties for LiFeSiO4, aggregated across 3 databases.

Band Gap

0.51–3.18 eV
Range across DFT structures

Energy Above Hull

0.012 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
2 DFT sources

Structures

134
3 databases, 26 space groups
Synthesis

Synthesis Routes

Literature-extracted synthesis procedures targeting LiFeSiO4.

Solid State
Procedure available · ceder_solid_state
Uses

Applications

Where LiFeSiO4 is used.

Solid-state battery researchMaterials science structural studiesElectrochemical energy storage development
Reference

Frequently Asked Questions

Common questions about LiFeSiO4, answered from cross-validated data.

What is LiFeSiO4?

LiFeSiO4 is a synthetically accessible, insulating lithium-iron silicate compound that serves as a valuable subject for structural and electronic materials research.

More questions
What is LiFeSiO4 used for?
LiFeSiO4 is used in solid-state battery research, materials science structural studies, and electrochemical energy storage development.
What is the band gap of LiFeSiO4?
LiFeSiO4 has a DFT-computed band gap of 0.51–3.18 eV across 134 reported structures.
Is LiFeSiO4 a metal, semiconductor, or insulator?
With a wide band gap up to 3.18 eV it is an insulator / wide-band-gap material.
Is LiFeSiO4 thermodynamically stable?
LiFeSiO4 has a lowest energy above hull of 0.012 eV/atom (near hull (likely stable)).
How many polymorphs of LiFeSiO4 are known?
134 structures of LiFeSiO4 are reported across 3 databases, spanning 26 distinct space groups.
How is LiFeSiO4 synthesized?
Literature-reported routes for LiFeSiO4 include solid state.
What elements does LiFeSiO4 contain?
LiFeSiO4 contains Fe, Li, O, and Si (4 elements).
Where does the data for LiFeSiO4 come from?
LiFeSiO4 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a distinct lithium-iron silicate, LiFeSiO4 occupies a unique position in materials research, serving as a foundational example of how transition metal incorporation influences the stability and structural diversity of insulating silicate frameworks.

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

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