Cs4H8N4O12S4

Cs4H8N4O12S4 is a metastable, insulating complex compound composed of cesium, hydrogen, nitrogen, oxygen, and sulfur.

CsHNOS
Crystal structure of Cs4H8N4O12S4 (monoclinic, P21/c (No. 14))
Ground-state structure · Materials Project
Overview

About Cs4H8N4O12S4

Cs4H8N4O12S4 is a complex, multi-element inorganic compound characterized by its wide-band-gap insulating electronic profile. Its structural arrangement reflects a delicate balance of chemical bonding that defines its unique identity within its chemical family.

As a metastable material, it represents a specific configuration of cesium, hydrogen, nitrogen, oxygen, and sulfur. While it exists in a state that requires precise conditions to maintain, its insulating nature makes it a subject of interest for fundamental studies in solid-state chemistry and materials science.

At a glance

Key Properties

Cross-validated computational properties for Cs4H8N4O12S4, aggregated across 3 databases.

Band Gap

4.86–5.13 eV
Range across DFT structures

Energy Above Hull

0.048 eV/atom
Best (lowest) across sources

Stability

Metastable
1 DFT source

Structures

4
3 databases, 3 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Cs4H8N4O12S4, 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)monoclinic5.130.0484-5.8343.03
Pnma (No. 62)orthorhombic4.860.0886-5.7942.96
P21/c (No. 14)
No. 0unknown0.80
Reference

Frequently Asked Questions

Common questions about Cs4H8N4O12S4, answered from cross-validated data.

What is Cs4H8N4O12S4?

Cs4H8N4O12S4 is a metastable, insulating complex compound composed of cesium, hydrogen, nitrogen, oxygen, and sulfur.

More questions
What is the band gap of Cs4H8N4O12S4?
Cs4H8N4O12S4 has a DFT-computed band gap of 4.86–5.13 eV across 4 reported structures.
Is Cs4H8N4O12S4 a metal, semiconductor, or insulator?
With a wide band gap up to 5.13 eV it is an insulator / wide-band-gap material.
Is Cs4H8N4O12S4 thermodynamically stable?
Cs4H8N4O12S4 has a lowest energy above hull of 0.048 eV/atom (metastable).
What is the crystal structure of Cs4H8N4O12S4?
The lowest-energy reported polymorph of Cs4H8N4O12S4 is monoclinic symmetry, space group P21/c (No. 14).
What is the density of Cs4H8N4O12S4?
The computed density of the ground-state structure of Cs4H8N4O12S4 is 3.03 g/cm³.
How many polymorphs of Cs4H8N4O12S4 are known?
4 structures of Cs4H8N4O12S4 are reported across 3 databases, spanning 3 distinct space groups.
What elements does Cs4H8N4O12S4 contain?
Cs4H8N4O12S4 contains Cs, H, N, O, and S (5 elements).
Where does the data for Cs4H8N4O12S4 come from?
Cs4H8N4O12S4 data is cross-referenced from materials_project, aflow, cod.
Comparison

How It Compares

As a unique chemical entity, this compound occupies a distinct niche in materials research. Without direct structural siblings for comparison, it serves as an individual case study for how complex polyatomic arrangements influence the stability and electronic behavior of cesium-based insulators.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
  • cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).

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