Ca2H24O18S4

Ca2H24O18S4 is a metastable, insulating inorganic compound composed of calcium, sulfur, oxygen, and hydrogen.

CaHOS
Crystal structure of Ca2H24O18S4 (triclinic, P-1 (No. 2))
Ground-state structure · Materials Project
Overview

About Ca2H24O18S4

Ca2H24O18S4 is a complex inorganic compound characterized by its wide-band-gap insulating electronic profile. Its structural arrangement reflects a delicate balance of constituent elements, positioning it as a distinct entity within its chemical family.

As a metastable material, it represents a specific configuration that is of interest for fundamental structural studies. Its insulating nature suggests potential utility in specialized dielectric applications where electronic conductivity must be strictly limited.

At a glance

Key Properties

Cross-validated computational properties for Ca2H24O18S4, aggregated across 3 databases.

Band Gap

4.13 eV
Range across DFT structures

Energy Above Hull

0.053 eV/atom
Best (lowest) across sources

Stability

Metastable
1 DFT source

Structures

3
3 databases, 2 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Ca2H24O18S4, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P-1 (No. 2)triclinic4.130.0532-5.4391.86
No. 0unknown0.94
P-1 (No. 2)
Reference

Frequently Asked Questions

Common questions about Ca2H24O18S4, answered from cross-validated data.

What is Ca2H24O18S4?

Ca2H24O18S4 is a metastable, insulating inorganic compound composed of calcium, sulfur, oxygen, and hydrogen.

More questions
What is the band gap of Ca2H24O18S4?
Ca2H24O18S4 has a DFT-computed band gap of 4.13 eV across 3 reported structures.
Is Ca2H24O18S4 a metal, semiconductor, or insulator?
With a wide band gap up to 4.13 eV it is an insulator / wide-band-gap material.
Is Ca2H24O18S4 thermodynamically stable?
Ca2H24O18S4 has a lowest energy above hull of 0.053 eV/atom (metastable).
What is the crystal structure of Ca2H24O18S4?
The lowest-energy reported polymorph of Ca2H24O18S4 is triclinic symmetry, space group P-1 (No. 2).
What is the density of Ca2H24O18S4?
The computed density of the ground-state structure of Ca2H24O18S4 is 1.86 g/cm³.
How many polymorphs of Ca2H24O18S4 are known?
3 structures of Ca2H24O18S4 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Ca2H24O18S4 contain?
Ca2H24O18S4 contains Ca, H, O, and S (4 elements).
Where does the data for Ca2H24O18S4 come from?
Ca2H24O18S4 data is cross-referenced from materials_project, cod, aflow.
Comparison

How It Compares

As a unique entry in this chemical space, Ca2H24O18S4 serves as a reference point for understanding the structural diversity of calcium-sulfur-oxygen-hydrogen systems. It stands as a specialized material whose metastable nature distinguishes it from more common, highly stable mineral phases.

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

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