Rb2S5

Rb2S5 is a stable, semiconducting rubidium polysulfide compound characterized by a well-defined structural profile.

RbS
Crystal structure of Rb2S5 (orthorhombic, P212121 (No. 19))
Ground-state structure · Materials Project
Overview

About Rb2S5

Rb2S5 is a thermodynamically stable compound within the rubidium-sulfur chemical space. As a semiconducting material, it exhibits distinct electronic characteristics that make it a subject of interest for fundamental solid-state research and materials characterization.

With numerous reported structures across multiple databases, this compound is well-documented in the scientific literature. Its stability on the convex hull underscores its importance as a robust phase in the study of alkali metal polysulfides.

At a glance

Key Properties

Cross-validated computational properties for Rb2S5, aggregated across 4 databases.

Band Gap

1.95 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
3 DFT sources

Structures

13
4 databases, 2 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Rb2S5, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P212121 (No. 19)orthorhombic1.950.0000-4.1912.62
P-1 (No. 2)Triclinic1.51
P-1 (No. 2)Triclinic1.36
P-1 (No. 2)Triclinic1.21
P212121 (No. 19)Orthorhombic2.49
P212121 (No. 19)
P-1 (No. 2)Triclinic1.62
P-1 (No. 2)Triclinic1.66
P-1 (No. 2)Triclinic1.51
P212121 (No. 19)Orthorhombic2.45
P212121 (No. 19)Orthorhombic2.52
2.75
Uses

Applications

Where Rb2S5 is used.

Solid-state chemistry researchFundamental materials science studiesChalcogenide phase exploration
Reference

Frequently Asked Questions

Common questions about Rb2S5, answered from cross-validated data.

What is Rb2S5?

Rb2S5 is a stable, semiconducting rubidium polysulfide compound characterized by a well-defined structural profile.

More questions
What is Rb2S5 used for?
Rb2S5 is used in solid-state chemistry research, fundamental materials science studies, and chalcogenide phase exploration.
What is the band gap of Rb2S5?
Rb2S5 has a DFT-computed band gap of 1.95 eV across 13 reported structures.
Is Rb2S5 a metal, semiconductor, or insulator?
With a band gap up to 1.95 eV it is a semiconductor.
Is Rb2S5 thermodynamically stable?
Yes — Rb2S5 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Rb2S5?
The lowest-energy reported polymorph of Rb2S5 is orthorhombic symmetry, space group P212121 (No. 19).
What is the density of Rb2S5?
The computed density of the ground-state structure of Rb2S5 is 2.62 g/cm³.
How many polymorphs of Rb2S5 are known?
13 structures of Rb2S5 are reported across 4 databases, spanning 2 distinct space groups.
What elements does Rb2S5 contain?
Rb2S5 contains Rb and S (2 elements).
Where does the data for Rb2S5 come from?
Rb2S5 data is cross-referenced from materials_project, mpaloe, jarvis, omat24.
Comparison

How It Compares

As a stable polysulfide phase, Rb2S5 represents a key structural arrangement in the rubidium-sulfur system, serving as a benchmark for understanding the electronic and geometric properties of alkali-rich chalcogenides.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • mpaloe — Data from mpaloe.
  • jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
  • omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).

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