Br16Rb8Zn4

Br16Rb8Zn4 is a stable, insulating inorganic compound composed of bromine, rubidium, and zinc.

BrRbZn
Crystal structure of Br16Rb8Zn4 (orthorhombic, Pna21 (No. 33))
Ground-state structure · Materials Project
Overview

About Br16Rb8Zn4

Br16Rb8Zn4 is a complex inorganic compound characterized by its insulating electronic nature. As a thermodynamically stable material situated on the convex hull, it represents a robust structural arrangement of bromine, rubidium, and zinc atoms.

Its stability and wide-band-gap electronic profile make it an interesting candidate for materials science research. The compound is notable for its structural diversity, with multiple reported configurations that highlight its versatile bonding environment.

At a glance

Key Properties

Cross-validated computational properties for Br16Rb8Zn4, aggregated across 2 databases.

Band Gap

3.63–3.93 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
1 DFT source

Structures

14
2 databases, 4 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Br16Rb8Zn4, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Pna21 (No. 33)orthorhombic3.710.0000-3.1413.44
Pc (No. 7)monoclinic3.700.0006-3.1403.45
P21/c (No. 14)monoclinic3.930.0020-3.1393.71
Pnma (No. 62)orthorhombic3.930.0054-3.1353.70
Pna21 (No. 33)orthorhombic3.630.0060-3.1353.69
Pna21 (No. 33)
Pnma (No. 62)
Pna21 (No. 33)
Pnma (No. 62)
Pnma (No. 62)
Pna21 (No. 33)
Pna21 (No. 33)
Reference

Frequently Asked Questions

Common questions about Br16Rb8Zn4, answered from cross-validated data.

What is Br16Rb8Zn4?

Br16Rb8Zn4 is a stable, insulating inorganic compound composed of bromine, rubidium, and zinc.

More questions
What is the band gap of Br16Rb8Zn4?
Br16Rb8Zn4 has a DFT-computed band gap of 3.63–3.93 eV across 14 reported structures.
Is Br16Rb8Zn4 a metal, semiconductor, or insulator?
With a wide band gap up to 3.93 eV it is an insulator / wide-band-gap material.
Is Br16Rb8Zn4 thermodynamically stable?
Yes — Br16Rb8Zn4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Br16Rb8Zn4?
The lowest-energy reported polymorph of Br16Rb8Zn4 is orthorhombic symmetry, space group Pna21 (No. 33).
What is the density of Br16Rb8Zn4?
The computed density of the ground-state structure of Br16Rb8Zn4 is 3.44 g/cm³.
How many polymorphs of Br16Rb8Zn4 are known?
14 structures of Br16Rb8Zn4 are reported across 2 databases, spanning 4 distinct space groups.
What elements does Br16Rb8Zn4 contain?
Br16Rb8Zn4 contains Br, Rb, and Zn (3 elements).
Where does the data for Br16Rb8Zn4 come from?
Br16Rb8Zn4 data is cross-referenced from materials_project, aflow.
Comparison

How It Compares

As a unique member within its structural landscape, Br16Rb8Zn4 stands out for its thermodynamic stability and well-defined insulating characteristics, serving as a reference point for future studies in this chemical space.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).

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