B12Li4O20

B12Li4O20 is a thermodynamically stable, insulating lithium borate oxide that serves as a specialized structural material.

Crystal structure of B12Li4O20
Ground-state structure · Materials Project
Overview

About B12Li4O20

B12Li4O20 is a complex lithium borate oxide that functions as a wide-gap insulator. Its electronic structure is characterized by a significant energy separation between the valence and conduction bands, making it a highly resistive material in its pure state. The compound is recognized for its near-hull thermodynamic stability, suggesting that it is a viable target for experimental synthesis and structural characterization. As a member of the lithium oxide family, it represents a specialized arrangement of boron and oxygen polyhedra coordinated with lithium cations. This structural complexity allows for diverse potential applications in solid-state ionics and dielectric material development, where stable, insulating lithium-based frameworks are required.

At a glance

Key Properties

Cross-validated computational properties for B12Li4O20, aggregated across 3 databases.

Band Gap

6.17–6.48 eV
Range across DFT structures

Energy Above Hull

0.007 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
1 DFT source

Structures

17
3 databases, 2 space groups
Uses

Applications

Where B12Li4O20 is used.

Solid-state electrolyte researchDielectric material developmentAdvanced ceramic synthesis
Reference

Frequently Asked Questions

Common questions about B12Li4O20, answered from cross-validated data.

What is B12Li4O20?

B12Li4O20 is a thermodynamically stable, insulating lithium borate oxide that serves as a specialized structural material.

More questions
What is B12Li4O20 used for?
B12Li4O20 is used in solid-state electrolyte research, dielectric material development, and advanced ceramic synthesis.
What is the band gap of B12Li4O20?
B12Li4O20 has a DFT-computed band gap of 6.17–6.48 eV across 17 reported structures.
Is B12Li4O20 a metal, semiconductor, or insulator?
With a wide band gap up to 6.48 eV it is an insulator / wide-band-gap material.
Is B12Li4O20 thermodynamically stable?
B12Li4O20 has a lowest energy above hull of 0.007 eV/atom (near hull (likely stable)).
How many polymorphs of B12Li4O20 are known?
17 structures of B12Li4O20 are reported across 3 databases, spanning 2 distinct space groups.
What elements does B12Li4O20 contain?
B12Li4O20 contains B, Li, and O (3 elements).
Where does the data for B12Li4O20 come from?
B12Li4O20 data is cross-referenced from latticegraph.
Comparison

How It Compares

Within the lithium oxides class.

Unlike the transition-metal-based lithium oxides such as LiNiO2, LiMn2O4, and LiCoO2, which are prized for their redox activity and electrochemical performance in battery cathodes, B12Li4O20 acts as a structural insulator. While siblings like Li2O serve as fundamental binary components, B12Li4O20 offers a more intricate, boron-rich lattice that contrasts with the simpler structural motifs found in Li4SiO4 or Li2TiO3.

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Related Compounds

Other Lithium Oxides in the database.

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

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