Li2SO4

Lithium sulfate · Lithium sulphate

Lithium sulfate is a stable, insulating lithium salt widely used in glass manufacturing and ceramic processing.

Crystal structure of Li2SO4 (monoclinic, P21/c (No. 14))
Ground-state structure · Materials Project
Overview

About Lithium sulfate

Lithium sulfate is a robust, thermodynamically stable member of the lithium oxide family. As a wide-band-gap insulator, it exhibits excellent structural integrity and is characterized by its high chemical stability, making it a reliable material for various industrial applications.

Its role as a stable inorganic compound allows it to function effectively in high-temperature environments. It is frequently utilized in the production of specialized glass and ceramic materials where insulating properties are essential for performance.

At a glance

Key Properties

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

Band Gap

3.92–6.01 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

16
3 databases, 4 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Li2SO4, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P21/c (No. 14)monoclinic6.010.0000-6.2752.27
Cmcm (No. 63)orthorhombic5.990.0549-6.2202.57
P1 (No. 1)triclinic5.730.1076-6.1682.21
F-43m (No. 216)cubic3.920.2676-6.0081.59
P1 (No. 1)Triclinic2.21
P1 (No. 1)Triclinic2.33
P1 (No. 1)Triclinic2.25
Cmcm (No. 63)
P21/c (No. 14)
P21/c (No. 14)Monoclinic2.16
F-43m (No. 216)
Cmcm (No. 63)Orthorhombic2.61
Synthesis

Synthesis Routes

Literature-extracted synthesis procedures targeting Li2SO4.

Sol-Gel
Procedure available · ceder_solid_state
Uses

Applications

Where Lithium sulfate is used.

Specialized glass manufacturingCeramic productionFluxing agent
Reference

Frequently Asked Questions

Common questions about Lithium sulfate, answered from cross-validated data.

What is Li2SO4?

Lithium sulfate is a stable, insulating lithium salt widely used in glass manufacturing and ceramic processing.

More questions
What is Li2SO4 used for?
Lithium sulfate (Li2SO4) is used in specialized glass manufacturing, ceramic production, and fluxing agent.
What is the band gap of Li2SO4?
Lithium sulfate (Li2SO4) has a DFT-computed band gap of 3.92–6.01 eV across 16 reported structures.
Is Li2SO4 a metal, semiconductor, or insulator?
With a wide band gap up to 6.01 eV it is an insulator / wide-band-gap material.
Is Li2SO4 thermodynamically stable?
Yes — Lithium sulfate (Li2SO4) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Li2SO4?
The lowest-energy reported polymorph of Lithium sulfate (Li2SO4) is monoclinic symmetry, space group P21/c (No. 14).
What is the density of Li2SO4?
The computed density of the ground-state structure of Lithium sulfate (Li2SO4) is 2.27 g/cm³.
How many polymorphs of Li2SO4 are known?
16 structures of Li2SO4 are reported across 3 databases, spanning 4 distinct space groups.
How is Li2SO4 synthesized?
Literature-reported routes for Li2SO4 include sol-gel.
What elements does Li2SO4 contain?
Lithium sulfate (Li2SO4) contains Li, O, and S (3 elements).
Where does the data for Li2SO4 come from?
Li2SO4 data is cross-referenced from materials_project, mpaloe, jarvis.
Comparison

How It Compares

Within the lithium oxides class.

Unlike the transition metal-based lithium oxides such as LiCoO2 or LiNiO2, which are primarily known for their electrochemical activity in battery cathodes, Li2SO4 acts as a stable, insulating salt. While its siblings are often optimized for ion mobility and redox reactions, Li2SO4 serves as a chemically inert structural component within its class.

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Related Compounds

Other Lithium Oxides in the database.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • mpaloe — Data from mpaloe.
  • jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).

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