Cr2V1W1

Cr2V1W1 is a semimetallic ternary alloy of chromium, vanadium, and tungsten that exhibits metastable thermodynamic characteristics.

CrVW
Crystal structure of Cr2V1W1 (orthorhombic, Immm (No. 71))
Ground-state structure · Materials Project
Overview

About Cr2V1W1

Cr2V1W1 is a complex ternary metallic compound synthesized from chromium, vanadium, and tungsten. It exhibits a semimetallic electronic character, placing it in a regime where conductive properties are highly sensitive to its specific atomic arrangement.

As a material that sits above the thermodynamic stability hull, this compound is considered metastable. Its existence across numerous reported structures highlights the structural diversity possible within this specific elemental combination, making it a subject of interest for researchers investigating phase stability in transition metal alloys.

At a glance

Key Properties

Cross-validated computational properties for Cr2V1W1, aggregated across 2 databases.

Band Gap

0.06 eV
Range across DFT structures

Energy Above Hull

4.515 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

27
2 databases, 16 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Cr2V1W1, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Immm (No. 71)orthorhombic0.064.5153-19.4160.68
P2/m (No. 10)
Pmmm (No. 47)
Pmmm (No. 47)
R-3m (No. 166)
Imm2 (No. 44)
P4/mmm (No. 123)
I-4m2 (No. 119)
Fm-3m (No. 225)
C2/m (No. 12)
Immm (No. 71)
Immm (No. 71)
Reference

Frequently Asked Questions

Common questions about Cr2V1W1, answered from cross-validated data.

What is Cr2V1W1?

Cr2V1W1 is a semimetallic ternary alloy of chromium, vanadium, and tungsten that exhibits metastable thermodynamic characteristics.

More questions
What is the band gap of Cr2V1W1?
Cr2V1W1 has a DFT-computed band gap of 0.06 eV across 27 reported structures.
Is Cr2V1W1 a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is Cr2V1W1 thermodynamically stable?
Cr2V1W1 has a lowest energy above hull of 4.515 eV/atom (above hull).
What is the crystal structure of Cr2V1W1?
The lowest-energy reported polymorph of Cr2V1W1 is orthorhombic symmetry, space group Immm (No. 71).
What is the density of Cr2V1W1?
The computed density of the ground-state structure of Cr2V1W1 is 0.68 g/cm³.
How many polymorphs of Cr2V1W1 are known?
27 structures of Cr2V1W1 are reported across 2 databases, spanning 16 distinct space groups.
What elements does Cr2V1W1 contain?
Cr2V1W1 contains Cr, V, and W (3 elements).
Where does the data for Cr2V1W1 come from?
Cr2V1W1 data is cross-referenced from materials_project, aflow.
Comparison

How It Compares

As a unique ternary combination of chromium, vanadium, and tungsten, this compound serves as a distinct point of study within the broader landscape of transition metal alloys. Without direct structural analogs in its immediate class, it represents a specialized case of multi-element metallic bonding where the interplay between its constituent elements dictates its unconventional stability profile.

Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).

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