Rb2MnCl6

Rb2MnCl6 is a thermodynamically stable, semiconducting inorganic compound known for its structural versatility.

ClMnRb
Crystal structure of Rb2MnCl6 (cubic, Fm-3m (No. 225))
Ground-state structure · Materials Project
Overview

About Rb2MnCl6

Rb2MnCl6 is a thermodynamically stable inorganic compound that resides on the convex hull, indicating robust structural integrity. As a semiconducting material, it offers unique electronic properties that make it a subject of interest for researchers investigating new functional solids.

The compound is characterized by its structural diversity, with multiple reported configurations across major materials databases. This versatility highlights its importance in fundamental studies aimed at understanding how complex halide frameworks influence electronic behavior.

At a glance

Key Properties

Cross-validated computational properties for Rb2MnCl6, aggregated across 3 databases.

Band Gap

1.20 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 Rb2MnCl6, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Fm-3m (No. 225)cubic1.200.0000-4.3083.01
Fm-3m (No. 225)
Fm-3m (No. 225)Cubic2.86
Fm-3m (No. 225)Cubic2.78
Fm-3m (No. 225)Cubic2.86
Uses

Applications

Where Rb2MnCl6 is used.

Materials science researchSolid-state electronics exploration
Reference

Frequently Asked Questions

Common questions about Rb2MnCl6, answered from cross-validated data.

What is Rb2MnCl6?

Rb2MnCl6 is a thermodynamically stable, semiconducting inorganic compound known for its structural versatility.

More questions
What is Rb2MnCl6 used for?
Rb2MnCl6 is used in materials science research and solid-state electronics exploration.
What is the band gap of Rb2MnCl6?
Rb2MnCl6 has a DFT-computed band gap of 1.20 eV across 5 reported structures.
Is Rb2MnCl6 a metal, semiconductor, or insulator?
With a band gap up to 1.20 eV it is a semiconductor.
Is Rb2MnCl6 thermodynamically stable?
Yes — Rb2MnCl6 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Rb2MnCl6?
The lowest-energy reported polymorph of Rb2MnCl6 is cubic symmetry, space group Fm-3m (No. 225).
What is the density of Rb2MnCl6?
The computed density of the ground-state structure of Rb2MnCl6 is 3.01 g/cm³.
How many polymorphs of Rb2MnCl6 are known?
5 structures of Rb2MnCl6 are reported across 3 databases, spanning 1 distinct space group.
What elements does Rb2MnCl6 contain?
Rb2MnCl6 contains Cl, Mn, and Rb (3 elements).
Where does the data for Rb2MnCl6 come from?
Rb2MnCl6 data is cross-referenced from materials_project, jarvis, mpaloe.
Comparison

How It Compares

As a distinct member of the halide-based materials class, Rb2MnCl6 serves as a stable, semiconducting candidate for exploring structural phase transitions and electronic modulation in the absence of more commonly studied counterparts.

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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