B12Br2Cs6H24Se8

B12Br2Cs6H24Se8 is a thermodynamically stable, insulating inorganic compound composed of boron, bromine, cesium, hydrogen, and selenium.

BBrCsHSe
Crystal structure of B12Br2Cs6H24Se8 (hexagonal, P63mc (No. 186))
Ground-state structure · Materials Project
Overview

About B12Br2Cs6H24Se8

B12Br2Cs6H24Se8 is a complex inorganic compound characterized by its insulating electronic nature and high thermodynamic stability. Positioned on the convex hull, this material represents a robust structural configuration that maintains integrity under standard conditions.

Its unique composition involving boron, bromine, cesium, hydrogen, and selenium suggests specialized roles in chemical synthesis or materials science research. As a stable, wide-gap insulator, it serves as an intriguing candidate for applications requiring precise electronic control and structural durability.

At a glance

Key Properties

Cross-validated computational properties for B12Br2Cs6H24Se8, aggregated across 3 databases.

Band Gap

4.49 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

3
3 databases, 1 space group
Crystallography

Reported Structures

Lowest-energy structures reported for B12Br2Cs6H24Se8, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P63mc (No. 186)hexagonal4.490.0000-4.4163.05
P63mc (No. 186)
P63mc (No. 186)
Uses

Applications

Where B12Br2Cs6H24Se8 is used.

Materials science researchSolid-state chemistry studiesAdvanced inorganic synthesis
Reference

Frequently Asked Questions

Common questions about B12Br2Cs6H24Se8, answered from cross-validated data.

What is B12Br2Cs6H24Se8?

B12Br2Cs6H24Se8 is a thermodynamically stable, insulating inorganic compound composed of boron, bromine, cesium, hydrogen, and selenium.

More questions
What is B12Br2Cs6H24Se8 used for?
B12Br2Cs6H24Se8 is used in materials science research, solid-state chemistry studies, and advanced inorganic synthesis.
What is the band gap of B12Br2Cs6H24Se8?
B12Br2Cs6H24Se8 has a DFT-computed band gap of 4.49 eV across 3 reported structures.
Is B12Br2Cs6H24Se8 a metal, semiconductor, or insulator?
With a wide band gap up to 4.49 eV it is an insulator / wide-band-gap material.
Is B12Br2Cs6H24Se8 thermodynamically stable?
Yes — B12Br2Cs6H24Se8 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of B12Br2Cs6H24Se8?
The lowest-energy reported polymorph of B12Br2Cs6H24Se8 is hexagonal symmetry, space group P63mc (No. 186).
What is the density of B12Br2Cs6H24Se8?
The computed density of the ground-state structure of B12Br2Cs6H24Se8 is 3.05 g/cm³.
How many polymorphs of B12Br2Cs6H24Se8 are known?
3 structures of B12Br2Cs6H24Se8 are reported across 3 databases, spanning 1 distinct space group.
What elements does B12Br2Cs6H24Se8 contain?
B12Br2Cs6H24Se8 contains B, Br, Cs, H, and Se (5 elements).
Where does the data for B12Br2Cs6H24Se8 come from?
B12Br2Cs6H24Se8 data is cross-referenced from materials_project, nomad, aflow.
Comparison

How It Compares

As a distinct inorganic compound, B12Br2Cs6H24Se8 occupies a niche position in material databases. While it currently lacks directly related structural siblings in this specific classification, its presence on the convex hull highlights its significance as a stable, well-defined chemical entity compared to more transient or metastable phases.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
  • aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).

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