Br12Na6Sc2

Br12Na6Sc2 is a thermodynamically stable insulating halide compound composed of bromine, sodium, and scandium.

BrNaSc
Crystal structure of Br12Na6Sc2
Ground-state structure · Materials Project
Overview

About Br12Na6Sc2

Br12Na6Sc2 is a complex halide material characterized by its insulating electronic nature and high thermodynamic stability. As a compound residing on the convex hull, it represents a robust structural configuration within its chemical system.

Its unique composition of bromine, sodium, and scandium suggests specialized roles in solid-state chemistry. The material is of significant interest for researchers studying stable halide frameworks and their potential for insulating applications.

At a glance

Key Properties

Cross-validated computational properties for Br12Na6Sc2, aggregated across 3 databases.

Band Gap

3.10–3.37 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

4
3 databases, 2 space groups
Reference

Frequently Asked Questions

Common questions about Br12Na6Sc2, answered from cross-validated data.

What is Br12Na6Sc2?

Br12Na6Sc2 is a thermodynamically stable insulating halide compound composed of bromine, sodium, and scandium.

More questions
What is the band gap of Br12Na6Sc2?
Br12Na6Sc2 has a DFT-computed band gap of 3.10–3.37 eV across 4 reported structures.
Is Br12Na6Sc2 a metal, semiconductor, or insulator?
With a wide band gap up to 3.37 eV it is an insulator / wide-band-gap material.
Is Br12Na6Sc2 thermodynamically stable?
Yes — Br12Na6Sc2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of Br12Na6Sc2 are known?
4 structures of Br12Na6Sc2 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Br12Na6Sc2 contain?
Br12Na6Sc2 contains Br, Na, and Sc (3 elements).
Where does the data for Br12Na6Sc2 come from?
Br12Na6Sc2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a distinct halide compound, Br12Na6Sc2 occupies a unique position in solid-state chemistry, serving as a stable reference point for complex ternary systems containing scandium and alkali metals.

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

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