H27K6Re3

H27K6Re3 is a thermodynamically stable, insulating compound composed of hydrogen, potassium, and rhenium.

HKRe
Crystal structure of H27K6Re3
Ground-state structure · Materials Project
Overview

About H27K6Re3

H27K6Re3 is a complex, hydrogen-rich inorganic compound characterized by its wide-band-gap insulating electronic profile. Its position on the thermodynamic convex hull indicates significant stability, marking it as a robust candidate for specialized structural investigations. The material has garnered attention due to its distinct composition, with multiple reported structures highlighting its structural versatility. It serves as a unique subject for researchers exploring the intersection of hydride chemistry and rhenium-based frameworks.

At a glance

Key Properties

Cross-validated computational properties for H27K6Re3, aggregated across 4 databases.

Band Gap

5.21 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

5
4 databases, 1 space group
Reference

Frequently Asked Questions

Common questions about H27K6Re3, answered from cross-validated data.

What is H27K6Re3?

H27K6Re3 is a thermodynamically stable, insulating compound composed of hydrogen, potassium, and rhenium.

More questions
What is the band gap of H27K6Re3?
H27K6Re3 has a DFT-computed band gap of 5.21 eV across 5 reported structures.
Is H27K6Re3 a metal, semiconductor, or insulator?
With a wide band gap up to 5.21 eV it is an insulator / wide-band-gap material.
Is H27K6Re3 thermodynamically stable?
Yes — H27K6Re3 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of H27K6Re3 are known?
5 structures of H27K6Re3 are reported across 4 databases, spanning 1 distinct space group.
What elements does H27K6Re3 contain?
H27K6Re3 contains H, K, and Re (3 elements).
Where does the data for H27K6Re3 come from?
H27K6Re3 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique entry in its structural class, H27K6Re3 represents a distinct point of interest for researchers studying the stability of metal-hydrogen-rhenium systems. Without direct structural siblings in this specific grouping, it stands as a singular reference point for understanding the electronic and thermodynamic behavior of such complex, hydrogen-dense insulating materials.

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

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