NbW

NbW is a thermodynamically stable metallic alloy formed from niobium and tungsten.

NbW
Crystal structure of NbW (orthorhombic, Cmmm (No. 65))
Ground-state structure · Materials Project
Overview

About NbW

NbW is a metallic intermetallic compound composed of niobium and tungsten. As a thermodynamically stable phase located on the convex hull, it represents a robust structural arrangement of these refractory transition metals.

Its metallic nature and structural stability make it a subject of significant interest in metallurgy and materials research. With a high number of reported structures across multiple databases, it is a well-documented phase within the binary system.

At a glance

Key Properties

Cross-validated computational properties for NbW, aggregated across 6 databases.

Band Gap

Metallic / not reported

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

Stable
4 DFT sources

Structures

121
6 databases, 25 space groups
Validation

Cross-Source DFT Agreement

How well independent DFT databases agree on the thermodynamics of NbW. Tight agreement means computed properties can be trusted without re-running calculations.

Agreement Score

0.12 / 1.00
Trust tier: low

Hull Spread

0.220 eV
EAH spread across sources

Sources Compared

3
jarvis, materials_project, oqmd

Space Group Consensus

All match
Crystallography

Reported Structures

Lowest-energy structures reported for NbW, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Cmmm (No. 65)orthorhombic0.000.0000-38.06813.59
——0.000.0047-0.035—
——0.000.0179-0.022—
Cmmm (No. 65)orthorhombic0.000.2203-0.058—
——0.000.40910.370—
——0.000.46750.428—
Pm-3m (No. 221)cubic0.000.50480.226—
——0.001.22181.182—
——0.002.69772.658—
P1 (No. 1)triclinic———13.01
P1 (No. 1)triclinic———15.85
P1 (No. 1)triclinic———14.38
Uses

Applications

Where NbW is used.

Refractory alloy researchHigh-temperature materials developmentFundamental condensed matter physics studies
Reference

Frequently Asked Questions

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

What is NbW?

NbW is a thermodynamically stable metallic alloy formed from niobium and tungsten.

More questions
What is NbW used for?
NbW is used in refractory alloy research, high-temperature materials development, and fundamental condensed matter physics studies.
What is the band gap of NbW?
The reported DFT structures of NbW show no band gap. Standard DFT often misses gaps (especially in transition-metal oxides), so this is not proof the real material is a metal.
Is NbW a metal, semiconductor, or insulator?
DFT calculations predict no band gap. Standard DFT can miss gaps, so measurements are needed to confirm metallic behavior.
Is NbW thermodynamically stable?
Yes — NbW sits on the convex hull (energy above hull 0 eV/atom), i.e. stable.
What is the crystal structure of NbW?
The reference structure of NbW is orthorhombic symmetry, space group Cmmm (No. 65).
What is the density of NbW?
The computed density of the ground-state structure of NbW is 13.59 g/cm³.
How many polymorphs of NbW are known?
121 structures of NbW are reported across 6 databases, spanning 25 distinct space groups.
What elements does NbW contain?
NbW contains Nb and W (2 elements).
Where does the data for NbW come from?
NbW data is cross-referenced from materials_project, oqmd, jarvis, mpaloe.
Comparison

How It Compares

As a binary intermetallic phase, NbW serves as a fundamental building block in the study of niobium-tungsten alloys, representing a stable equilibrium state within this refractory metal system.

Data sources & attribution
  • materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
  • oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
  • jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
  • mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.

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