Ba2C4H12N2O10S2

Ba2C4H12N2O10S2 is a metastable, insulating barium-based compound used in fundamental materials research.

BaCHNOS
Crystal structure of Ba2C4H12N2O10S2
Ground-state structure · Materials Project
Overview

About Ba2C4H12N2O10S2

Ba2C4H12N2O10S2 is a complex inorganic-organic hybrid material characterized by its wide-gap insulating electronic profile. Its structural arrangement reflects a delicate balance of chemical constituents, placing it within a specialized category of metastable compounds that require precise synthesis conditions.

This material is of interest to researchers studying the fundamental properties of insulating barium-based salts. Its metastable nature suggests that it may exhibit unique reactivity or structural transitions, making it a subject of investigation for those exploring advanced materials synthesis and solid-state chemistry.

At a glance

Key Properties

Cross-validated computational properties for Ba2C4H12N2O10S2, aggregated across 3 databases.

Band Gap

3.58 eV
Range across DFT structures

Energy Above Hull

0.088 eV/atom
Best (lowest) across sources

Stability

Metastable
1 DFT source

Structures

3
3 databases, 2 space groups
Uses

Applications

Where Ba2C4H12N2O10S2 is used.

Fundamental materials science researchSolid-state chemistry investigations
Reference

Frequently Asked Questions

Common questions about Ba2C4H12N2O10S2, answered from cross-validated data.

What is Ba2C4H12N2O10S2?

Ba2C4H12N2O10S2 is a metastable, insulating barium-based compound used in fundamental materials research.

More questions
What is Ba2C4H12N2O10S2 used for?
Ba2C4H12N2O10S2 is used in fundamental materials science research and solid-state chemistry investigations.
What is the band gap of Ba2C4H12N2O10S2?
Ba2C4H12N2O10S2 has a DFT-computed band gap of 3.58 eV across 3 reported structures.
Is Ba2C4H12N2O10S2 a metal, semiconductor, or insulator?
With a wide band gap up to 3.58 eV it is an insulator / wide-band-gap material.
Is Ba2C4H12N2O10S2 thermodynamically stable?
Ba2C4H12N2O10S2 has a lowest energy above hull of 0.088 eV/atom (metastable).
How many polymorphs of Ba2C4H12N2O10S2 are known?
3 structures of Ba2C4H12N2O10S2 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Ba2C4H12N2O10S2 contain?
Ba2C4H12N2O10S2 contains Ba, C, H, N, O, and S (6 elements).
Where does the data for Ba2C4H12N2O10S2 come from?
Ba2C4H12N2O10S2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique entry in its chemical category, this compound serves as a distinct point of reference for researchers. Without direct structural siblings in this specific class, it stands as an isolated example of how barium can be integrated into complex organic-inorganic frameworks to achieve specific insulating characteristics.

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

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