B1Br2Li1

B1Br2Li1 is a metastable, semiconducting ternary compound containing boron, bromine, and lithium.

BBrLi
Crystal structure of B1Br2Li1
Ground-state structure · Materials Project
Overview

About B1Br2Li1

B1Br2Li1 is a ternary compound composed of boron, bromine, and lithium. As a semiconducting material, it exhibits electronic properties that place it within a specialized category of inorganic compounds currently under investigation for potential solid-state applications.

Despite the significant number of reported structures, this compound is characterized by its position above the thermodynamic hull. This suggests that the material is metastable, requiring specific synthesis conditions to stabilize its configuration for experimental analysis.

At a glance

Key Properties

Cross-validated computational properties for B1Br2Li1, aggregated across 2 databases.

Band Gap

0.60 eV
Range across DFT structures

Energy Above Hull

1.679 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

26
2 databases, 14 space groups
Reference

Frequently Asked Questions

Common questions about B1Br2Li1, answered from cross-validated data.

What is B1Br2Li1?

B1Br2Li1 is a metastable, semiconducting ternary compound containing boron, bromine, and lithium.

More questions
What is the band gap of B1Br2Li1?
B1Br2Li1 has a DFT-computed band gap of 0.60 eV across 26 reported structures.
Is B1Br2Li1 a metal, semiconductor, or insulator?
With a band gap up to 0.60 eV it is a semiconductor.
Is B1Br2Li1 thermodynamically stable?
B1Br2Li1 has a lowest energy above hull of 1.679 eV/atom (above hull).
How many polymorphs of B1Br2Li1 are known?
26 structures of B1Br2Li1 are reported across 2 databases, spanning 14 distinct space groups.
What elements does B1Br2Li1 contain?
B1Br2Li1 contains B, Br, and Li (3 elements).
Where does the data for B1Br2Li1 come from?
B1Br2Li1 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique ternary phase, B1Br2Li1 represents an interesting case study in chemical stability and structural diversity. Without close structural siblings to compare against, it stands as an independent example of how boron-halide-lithium combinations can form complex, albeit metastable, lattice arrangements.

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

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