Li2GeO3

lithium metagermanate · LGO

Lithium metagermanate is a stable, insulating lithium oxide ceramic frequently studied for its structural properties and potential utility in specialized technological applications.

Crystal structure of Li2GeO3 (orthorhombic, Cmc21 (No. 36))
Ground-state structure · Materials Project
Overview

About lithium metagermanate

Lithium metagermanate is a thermodynamically stable member of the lithium oxide family, characterized by its wide-band-gap insulating nature. Its structural integrity and chemical stability make it a subject of significant interest for advanced materials research, particularly where reliable dielectric or ionic transport properties are required.

The compound is recognized for its well-defined crystalline phases, supported by multiple structural reports in scientific databases. Its role as a stable oxide positions it as a versatile candidate for specialized ceramic applications and as a model system for understanding lithium-based structural frameworks.

At a glance

Key Properties

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

Band Gap

3.19–4.47 eV
Range across DFT structures · ground state: wide gap

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

Stable
3 DFT sources

Structures

7
3 databases, 1 space group
Validation

Cross-Source DFT Agreement

How well independent DFT databases agree on the thermodynamics of Li2GeO3. Tight agreement means computed properties can be trusted without re-running calculations.

Agreement Score

1.00 / 1.00
Trust tier: high

Hull Spread

0.000 eV
EAH spread across sources

Sources Compared

3
jarvis, materials_project, oqmd

Space Group Consensus

All match
Crystallography

Reported Structures

Lowest-energy structures reported for Li2GeO3, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
——3.810.0000-2.186—
Cmc21 (No. 36)orthorhombic3.690.0000-2.128—
Cmc21 (No. 36)orthorhombic3.570.0000-6.2033.55
——4.470.0189-2.167—
——3.190.0776-2.109—
Cmc21 (No. 36)orthorhombic———3.35
Cmc21 (No. 36)orthorhombic———3.49
Cmc21 (No. 36)orthorhombic———3.53
Cmc21 (No. 36)orthorhombic———3.46
Synthesis

Synthesis Routes

Literature-extracted synthesis procedures targeting Li2GeO3.

Solid State
Procedure available · ceder_solid_state
Uses

Applications

Where lithium metagermanate is used.

Tritium breeding material in fusion reactorsSolid-state electrolyte researchCeramic materials development
Reference

Frequently Asked Questions

Common questions about lithium metagermanate, answered from cross-validated data.

What is Li2GeO3?

Lithium metagermanate is a stable, insulating lithium oxide ceramic frequently studied for its structural properties and potential utility in specialized technological applications.

More questions
What is Li2GeO3 used for?
lithium metagermanate (Li2GeO3) is used in tritium breeding material in fusion reactors, solid-state electrolyte research, and ceramic materials development.
What is the band gap of Li2GeO3?
lithium metagermanate (Li2GeO3) has a DFT-computed band gap of 3.19–4.47 eV across 7 reported structures. Standard DFT underestimates band gaps, so the measured gap is typically larger.
Is Li2GeO3 a metal, semiconductor, or insulator?
DFT predicts a wide band gap of up to 4.47 eV (an insulator or wide-band-gap material).
Is Li2GeO3 thermodynamically stable?
Yes — lithium metagermanate (Li2GeO3) sits on the convex hull (energy above hull 0 eV/atom), i.e. stable.
What is the crystal structure of Li2GeO3?
The reference structure of lithium metagermanate (Li2GeO3) is orthorhombic symmetry, space group Cmc21 (No. 36).
How many polymorphs of Li2GeO3 are known?
7 structures of Li2GeO3 are reported across 3 databases, spanning 1 distinct space group.
How is Li2GeO3 synthesized?
Literature-reported routes for Li2GeO3 include solid state.
What elements does Li2GeO3 contain?
lithium metagermanate (Li2GeO3) contains Ge, Li, and O (3 elements).
Where does the data for Li2GeO3 come from?
Li2GeO3 data is cross-referenced from oqmd, jarvis, materials_project, mpaloe, cod.
Comparison

How It Compares

Within the lithium oxides class.

Unlike the transition-metal-rich lithium oxides such as LiCoO2 or LiNiO2, which are primarily utilized for their electrochemical redox activity in battery cathodes, Li2GeO3 functions as a stable, insulating ceramic. It shares more structural commonality with other main-group lithium oxides like Li4SiO4, serving as a robust dielectric or functional material rather than an active electrode component.

Explore

Related Compounds

Other Lithium Oxides in the database.

Data sources & attribution
  • oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
  • jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
  • materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
  • mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
  • cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)

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