Rb6Br4O

This compound is a complex inorganic salt containing rubidium, bromine, and oxygen. It is primarily studied in academic research settings to understand the structural properties and bonding characteristics of alkali metal suboxides and halides.

BrORb
Crystal structure of Rb6Br4O (trigonal, R-3c (No. 167))
Ground-state structure · Materials Project
Overview

Key Properties

Cross-validated computational properties for Rb6Br4O, aggregated across 3 databases.

Band Gap

1.53 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

5
3 databases, 1 space group
Crystallography

Reported Structures

Lowest-energy structures reported for Rb6Br4O, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
R-3c (No. 167)trigonal1.530.0000-3.3863.43
R-3c (No. 167)
R-3c (No. 167)Trigonal3.40
R-3c (No. 167)Trigonal3.26
R-3c (No. 167)Trigonal3.34
Uses

Applications

Where Rb6Br4O is used.

Solid-state chemistry researchFundamental materials science studies
Reference

Frequently Asked Questions

Common questions about Rb6Br4O, answered from cross-validated data.

What is Rb6Br4O?

This compound is a complex inorganic salt containing rubidium, bromine, and oxygen. It is primarily studied in academic research settings to understand the structural properties and bonding characteristics of alkali metal suboxides and halides.

More questions
What is Rb6Br4O used for?
Rb6Br4O is used in solid-state chemistry research and fundamental materials science studies.
What is the band gap of Rb6Br4O?
Rb6Br4O has a DFT-computed band gap of 1.53 eV across 5 reported structures.
Is Rb6Br4O a metal, semiconductor, or insulator?
With a band gap up to 1.53 eV it is a semiconductor.
Is Rb6Br4O thermodynamically stable?
Yes — Rb6Br4O sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Rb6Br4O?
The lowest-energy reported polymorph of Rb6Br4O is trigonal symmetry, space group R-3c (No. 167).
What is the density of Rb6Br4O?
The computed density of the ground-state structure of Rb6Br4O is 3.43 g/cm³.
How many polymorphs of Rb6Br4O are known?
5 structures of Rb6Br4O are reported across 3 databases, spanning 1 distinct space group.
What elements does Rb6Br4O contain?
Rb6Br4O contains Br, O, and Rb (3 elements).
Where does the data for Rb6Br4O come from?
Rb6Br4O data is cross-referenced from materials_project, jarvis, mpaloe.
Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
  • mpaloe — Data from mpaloe.

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