CsHSO4

Cesium hydrogen sulfate · CHS

Cesium hydrogen sulfate is a stable, insulating crystalline compound primarily studied for its proton-conducting properties in solid-state applications.

CsHOS
Crystal structure of CsHSO4 (monoclinic, P21/c (No. 14))
Ground-state structure · Materials Project
Overview

About Cesium hydrogen sulfate

Cesium hydrogen sulfate is a crystalline inorganic compound that functions as a wide-band-gap insulator. Its structural integrity is underscored by its status as a thermodynamically stable phase, positioning it as a reliable subject for fundamental materials research.

Due to its unique proton-conducting behavior at elevated temperatures, this compound is highly significant in the study of solid-state electrolytes. It serves as a foundational material for investigating ion transport mechanisms in hydrogen-bonded systems.

At a glance

Key Properties

Cross-validated computational properties for Cesium hydrogen sulfate, aggregated across 3 databases.

Band Gap

5.29–5.56 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
1 DFT source

Structures

13
3 databases, 3 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for CsHSO4, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P21/c (No. 14)monoclinic5.340.0000-5.9933.41
P21/c (No. 14)monoclinic5.290.0050-5.9883.38
P21/m (No. 11)monoclinic5.560.0086-5.9843.19
P21/c (No. 14)Monoclinic3.06
P21/c (No. 14)Monoclinic3.22
P21/c (No. 14)Monoclinic3.10
P21/m (No. 11)Monoclinic3.19
P21/m (No. 11)Monoclinic3.35
P21/m (No. 11)Monoclinic3.24
No. 0unknown0.84
P21/c (No. 14)Monoclinic3.09
P21/c (No. 14)Monoclinic3.25
Uses

Applications

Where Cesium hydrogen sulfate is used.

Solid-state electrolyte researchProton-conducting membrane studiesFuel cell material development
Reference

Frequently Asked Questions

Common questions about Cesium hydrogen sulfate, answered from cross-validated data.

What is CsHSO4?

Cesium hydrogen sulfate is a stable, insulating crystalline compound primarily studied for its proton-conducting properties in solid-state applications.

More questions
What is CsHSO4 used for?
Cesium hydrogen sulfate (CsHSO4) is used in solid-state electrolyte research, proton-conducting membrane studies, and fuel cell material development.
What is the band gap of CsHSO4?
Cesium hydrogen sulfate (CsHSO4) has a DFT-computed band gap of 5.29–5.56 eV across 13 reported structures.
Is CsHSO4 a metal, semiconductor, or insulator?
With a wide band gap up to 5.56 eV it is an insulator / wide-band-gap material.
Is CsHSO4 thermodynamically stable?
Yes — Cesium hydrogen sulfate (CsHSO4) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of CsHSO4?
The lowest-energy reported polymorph of Cesium hydrogen sulfate (CsHSO4) is monoclinic symmetry, space group P21/c (No. 14).
What is the density of CsHSO4?
The computed density of the ground-state structure of Cesium hydrogen sulfate (CsHSO4) is 3.41 g/cm³.
How many polymorphs of CsHSO4 are known?
13 structures of CsHSO4 are reported across 3 databases, spanning 3 distinct space groups.
What elements does CsHSO4 contain?
Cesium hydrogen sulfate (CsHSO4) contains Cs, H, O, and S (4 elements).
Where does the data for CsHSO4 come from?
CsHSO4 data is cross-referenced from materials_project, mpaloe, cod.
Comparison

How It Compares

As a standalone representative of its class within this dataset, cesium hydrogen sulfate serves as a primary reference point for understanding proton-conducting sulfate systems. Its stability and insulating nature provide a baseline for evaluating the performance and structural evolution of similar hydrogen-bearing inorganic compounds.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • mpaloe — Data from mpaloe.
  • cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).

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