Cr3Se

Cr3Se is a metallic chromium selenide compound that exists as a metastable phase in the chromium-selenium material system.

CrSe
Crystal structure of Cr3Se
Ground-state structure · Materials Project
Overview

About Cr3Se

Cr3Se is a metallic chromium-based selenide that exhibits complex structural behavior. As a compound characterized by its metallic electronic nature, it represents an interesting subject for studying transition metal chalcogenide interactions. Its existence across multiple databases highlights its prominence in computational research despite its metastable state.

Because it resides above the thermodynamic hull, Cr3Se is considered a metastable phase. This status makes it a compelling target for researchers investigating synthesis pathways and the stabilization of non-equilibrium materials in the broader family of chromium selenides.

At a glance

Key Properties

Cross-validated computational properties for Cr3Se, aggregated across 5 databases.

Band Gap

Metallic / not reported

Energy Above Hull

0.580 eV/atom
Best (lowest) across sources

Stability

Above hull
4 DFT sources

Structures

44
5 databases, 14 space groups
Reference

Frequently Asked Questions

Common questions about Cr3Se, answered from cross-validated data.

What is Cr3Se?

Cr3Se is a metallic chromium selenide compound that exists as a metastable phase in the chromium-selenium material system.

More questions
What is the band gap of Cr3Se?
Cr3Se is computed to be metallic (no band gap) in the reported DFT structures.
Is Cr3Se a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is Cr3Se thermodynamically stable?
Cr3Se has a lowest energy above hull of 0.580 eV/atom (above hull).
How many polymorphs of Cr3Se are known?
44 structures of Cr3Se are reported across 5 databases, spanning 14 distinct space groups.
What elements does Cr3Se contain?
Cr3Se contains Cr and Se (2 elements).
Where does the data for Cr3Se come from?
Cr3Se data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique metallic phase within the chromium-selenium system, Cr3Se serves as a critical reference point for understanding the structural diversity of transition metal chalcogenides. It occupies a distinct position in the phase space, offering insights into how chromium and selenium atoms arrange themselves outside of the most stable configurations.

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

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