C2H12N6O8Re2

C2H12N6O8Re2 is a wide-gap insulating rhenium-based coordination compound that is theoretically stable and potentially synthesizable.

CHNORe
Crystal structure of C2H12N6O8Re2
Ground-state structure · Materials Project
Overview

About C2H12N6O8Re2

C2H12N6O8Re2 is a complex inorganic compound containing rhenium, nitrogen, oxygen, carbon, and hydrogen. Characterized as a wide-gap insulator, it exhibits electronic properties typical of stable coordination complexes that do not readily conduct electricity.

As a near-hull material, it is considered thermodynamically viable and potentially synthesizable under controlled conditions. Its unique structural arrangement makes it a candidate for specialized chemical investigations where rhenium-based molecular frameworks are required.

At a glance

Key Properties

Cross-validated computational properties for C2H12N6O8Re2, aggregated across 3 databases.

Band Gap

3.65 eV
Range across DFT structures

Energy Above Hull

0.012 eV/atom
Best (lowest) across sources

Stability

Near hull (likely stable)
1 DFT source

Structures

3
3 databases, 2 space groups
Uses

Applications

Where C2H12N6O8Re2 is used.

Advanced materials researchCoordination chemistry studiesRhenium-based molecular framework development
Reference

Frequently Asked Questions

Common questions about C2H12N6O8Re2, answered from cross-validated data.

What is C2H12N6O8Re2?

C2H12N6O8Re2 is a wide-gap insulating rhenium-based coordination compound that is theoretically stable and potentially synthesizable.

More questions
What is C2H12N6O8Re2 used for?
C2H12N6O8Re2 is used in advanced materials research, coordination chemistry studies, and rhenium-based molecular framework development.
What is the band gap of C2H12N6O8Re2?
C2H12N6O8Re2 has a DFT-computed band gap of 3.65 eV across 3 reported structures.
Is C2H12N6O8Re2 a metal, semiconductor, or insulator?
With a wide band gap up to 3.65 eV it is an insulator / wide-band-gap material.
Is C2H12N6O8Re2 thermodynamically stable?
C2H12N6O8Re2 has a lowest energy above hull of 0.012 eV/atom (near hull (likely stable)).
How many polymorphs of C2H12N6O8Re2 are known?
3 structures of C2H12N6O8Re2 are reported across 3 databases, spanning 2 distinct space groups.
What elements does C2H12N6O8Re2 contain?
C2H12N6O8Re2 contains C, H, N, O, and Re (5 elements).
Where does the data for C2H12N6O8Re2 come from?
C2H12N6O8Re2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique rhenium-based molecular complex, this compound represents a specialized niche in inorganic chemistry. Without direct structural siblings in this specific class, it serves as a distinct example of how heavy transition metals can be integrated into stable, insulating organic-inorganic frameworks.

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

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