H56Ni4O44S4

H56Ni4O44S4 is a complex, wide-gap insulating nickel-based hydrated sulfate that is theoretically predicted to be stable enough for laboratory synthesis.

HNiOS
Crystal structure of H56Ni4O44S4
Ground-state structure · Materials Project
Overview

About H56Ni4O44S4

H56Ni4O44S4 is a complex hydrated nickel sulfate characterized by its wide-gap insulating electronic structure. Its composition suggests a intricate crystalline arrangement involving hydrogen, nickel, oxygen, and sulfur, positioning it as a significant subject for structural analysis in inorganic chemistry.

As a near-hull material, this compound is considered likely to be synthesizable under appropriate laboratory conditions. Its structural data richness highlights its potential as a stable phase, offering researchers a unique opportunity to study the coordination chemistry of nickel within hydrated sulfate frameworks.

At a glance

Key Properties

Cross-validated computational properties for H56Ni4O44S4, aggregated across 3 databases.

Band Gap

5.33 eV
Range across DFT structures

Energy Above Hull

0.006 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
1 DFT source

Structures

7
3 databases, 2 space groups
Uses

Applications

Where H56Ni4O44S4 is used.

Materials science researchCoordination chemistry studiesCrystallographic structural analysis
Reference

Frequently Asked Questions

Common questions about H56Ni4O44S4, answered from cross-validated data.

What is H56Ni4O44S4?

H56Ni4O44S4 is a complex, wide-gap insulating nickel-based hydrated sulfate that is theoretically predicted to be stable enough for laboratory synthesis.

More questions
What is H56Ni4O44S4 used for?
H56Ni4O44S4 is used in materials science research, coordination chemistry studies, and crystallographic structural analysis.
What is the band gap of H56Ni4O44S4?
H56Ni4O44S4 has a DFT-computed band gap of 5.33 eV across 7 reported structures.
Is H56Ni4O44S4 a metal, semiconductor, or insulator?
With a wide band gap up to 5.33 eV it is an insulator / wide-band-gap material.
Is H56Ni4O44S4 thermodynamically stable?
H56Ni4O44S4 has a lowest energy above hull of 0.006 eV/atom (near hull (likely stable)).
How many polymorphs of H56Ni4O44S4 are known?
7 structures of H56Ni4O44S4 are reported across 3 databases, spanning 2 distinct space groups.
What elements does H56Ni4O44S4 contain?
H56Ni4O44S4 contains H, Ni, O, and S (4 elements).
Where does the data for H56Ni4O44S4 come from?
H56Ni4O44S4 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique hydrated sulfate, this compound represents a specialized niche in inorganic chemistry. Without direct structural siblings in this specific class, it serves as an important reference point for understanding how high-hydration states influence the electronic and thermodynamic stability of metal-sulfate complexes.

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

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