H4W

H4W is a metastable tungsten hydride compound that exhibits semimetallic electronic behavior.

HW
Crystal structure of H4W
Ground-state structure · Materials Project
Overview

About H4W

H4W is a tungsten hydride phase characterized by its near-zero-gap electronic structure, placing it in the category of semimetallic materials. Given its position above the thermodynamic hull, it is considered a metastable compound that exists under specific synthesis conditions.

This material is of significant interest in high-pressure physics and materials science, where researchers investigate the bonding behavior of hydrogen with transition metals. With multiple reported structures across various databases, it serves as a subject for understanding complex phase landscapes in hydride systems.

At a glance

Key Properties

Cross-validated computational properties for H4W, aggregated across 3 databases.

Band Gap

0.03 eV
Range across DFT structures

Energy Above Hull

0.150 eV/atom
Best (lowest) across sources

Stability

Above hull
2 DFT sources

Structures

20
3 databases, 6 space groups
Uses

Applications

Where H4W is used.

High-pressure physics researchFundamental materials science studiesHydrogen storage material modeling
Reference

Frequently Asked Questions

Common questions about H4W, answered from cross-validated data.

What is H4W?

H4W is a metastable tungsten hydride compound that exhibits semimetallic electronic behavior.

More questions
What is H4W used for?
H4W is used in high-pressure physics research, fundamental materials science studies, and hydrogen storage material modeling.
What is the band gap of H4W?
H4W has a DFT-computed band gap of 0.03 eV across 20 reported structures.
Is H4W a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is H4W thermodynamically stable?
H4W has a lowest energy above hull of 0.150 eV/atom (above hull).
How many polymorphs of H4W are known?
20 structures of H4W are reported across 3 databases, spanning 6 distinct space groups.
What elements does H4W contain?
H4W contains H and W (2 elements).
Where does the data for H4W come from?
H4W data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique hydride phase, H4W represents a distinct point in the compositional space of tungsten-hydrogen systems, serving as a reference for studying the electronic transitions that occur in metal-rich hydrides.

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

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