H36O24S2

H36O24S2 is a thermodynamically stable, wide-gap insulating compound composed of hydrogen, oxygen, and sulfur.

HOS
Crystal structure of H36O24S2 (monoclinic, Cc (No. 9))
Ground-state structure · Materials Project
Overview

About H36O24S2

H36O24S2 is a thermodynamically stable compound that sits on the convex hull, indicating a high degree of structural integrity. Its electronic profile is characterized as a wide-gap insulator, making it a subject of interest for fundamental studies in solid-state chemistry.

Given its status as a stable phase, this material serves as a key reference point for understanding complex hydrogen-oxygen-sulfur systems. Its existence across multiple reported structures highlights the versatility of its atomic arrangement under varying conditions.

At a glance

Key Properties

Cross-validated computational properties for H36O24S2, aggregated across 3 databases.

Band Gap

5.41 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
1 DFT source

Structures

4
3 databases, 2 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for H36O24S2, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Cc (No. 9)monoclinic5.410.0000-5.3731.44
1.32
No. 0unknown0.34
No. 0unknown0.34
Reference

Frequently Asked Questions

Common questions about H36O24S2, answered from cross-validated data.

What is H36O24S2?

H36O24S2 is a thermodynamically stable, wide-gap insulating compound composed of hydrogen, oxygen, and sulfur.

More questions
What is the band gap of H36O24S2?
H36O24S2 has a DFT-computed band gap of 5.41 eV across 4 reported structures.
Is H36O24S2 a metal, semiconductor, or insulator?
With a wide band gap up to 5.41 eV it is an insulator / wide-band-gap material.
Is H36O24S2 thermodynamically stable?
Yes — H36O24S2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of H36O24S2?
The lowest-energy reported polymorph of H36O24S2 is monoclinic symmetry, space group Cc (No. 9).
What is the density of H36O24S2?
The computed density of the ground-state structure of H36O24S2 is 1.44 g/cm³.
How many polymorphs of H36O24S2 are known?
4 structures of H36O24S2 are reported across 3 databases, spanning 2 distinct space groups.
What elements does H36O24S2 contain?
H36O24S2 contains H, O, and S (3 elements).
Where does the data for H36O24S2 come from?
H36O24S2 data is cross-referenced from materials_project, omat24, cod.
Comparison

How It Compares

As a unique entry in its chemical system, H36O24S2 represents a distinct structural configuration that provides essential insight into the stability of sulfur-rich hydrated phases.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
  • cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).

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