H4O20Pr4S4

H4O20Pr4S4 is a thermodynamically stable, insulating inorganic compound composed of hydrogen, oxygen, praseodymium, and sulfur.

HOPrS
Crystal structure of H4O20Pr4S4
Ground-state structure · Materials Project
Overview

About H4O20Pr4S4

H4O20Pr4S4 is a complex inorganic compound characterized by its wide-band-gap insulating electronic profile. Its position on the convex hull indicates that it is a thermodynamically stable phase, making it a robust candidate for fundamental materials research.

As a stable insulating material, it serves as a subject of interest for understanding the interplay between rare-earth praseodymium centers and sulfate-based structural frameworks. Its existence across multiple reported structures highlights its structural versatility within the solid state.

At a glance

Key Properties

Cross-validated computational properties for H4O20Pr4S4, aggregated across 3 databases.

Band Gap

5.62 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
1 DFT source

Structures

5
3 databases, 2 space groups
Reference

Frequently Asked Questions

Common questions about H4O20Pr4S4, answered from cross-validated data.

What is H4O20Pr4S4?

H4O20Pr4S4 is a thermodynamically stable, insulating inorganic compound composed of hydrogen, oxygen, praseodymium, and sulfur.

More questions
What is the band gap of H4O20Pr4S4?
H4O20Pr4S4 has a DFT-computed band gap of 5.62 eV across 5 reported structures.
Is H4O20Pr4S4 a metal, semiconductor, or insulator?
With a wide band gap up to 5.62 eV it is an insulator / wide-band-gap material.
Is H4O20Pr4S4 thermodynamically stable?
Yes — H4O20Pr4S4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of H4O20Pr4S4 are known?
5 structures of H4O20Pr4S4 are reported across 3 databases, spanning 2 distinct space groups.
What elements does H4O20Pr4S4 contain?
H4O20Pr4S4 contains H, O, Pr, and S (4 elements).
Where does the data for H4O20Pr4S4 come from?
H4O20Pr4S4 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique inorganic phase, H4O20Pr4S4 represents a distinct structural arrangement within its chemical family, serving as a benchmark for stability and electronic insulation in praseodymium-sulfur-oxygen systems.

Data sources & attribution
  • latticegraph — Lattice Graph Materials Intelligence Platform

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