Cr2Re1Ti1

Cr2Re1Ti1 is a semimetallic ternary compound of chromium, rhenium, and titanium that exists as a metastable phase with diverse structural possibilities.

CrReTi
Crystal structure of Cr2Re1Ti1
Ground-state structure · Materials Project
Overview

About Cr2Re1Ti1

Cr2Re1Ti1 is a complex ternary compound composed of chromium, rhenium, and titanium. As a near-zero-gap semimetallic material, it exhibits electronic properties that bridge the divide between metallic conductors and semiconductors, making it a subject of interest for fundamental condensed matter research. The material is characterized by a high degree of structural complexity, as evidenced by the numerous distinct configurations reported in databases. Because it resides above the thermodynamic hull, it is considered a metastable phase that requires specific synthesis conditions to stabilize its atomic arrangement.

At a glance

Key Properties

Cross-validated computational properties for Cr2Re1Ti1, aggregated across 2 databases.

Band Gap

0.08 eV
Range across DFT structures

Energy Above Hull

4.162 eV/atom
Best (lowest) across sources

Stability

Above hull
1 DFT source

Structures

27
2 databases, 14 space groups
Uses

Applications

Where Cr2Re1Ti1 is used.

Fundamental condensed matter researchMaterials discoveryElectronic property investigation
Reference

Frequently Asked Questions

Common questions about Cr2Re1Ti1, answered from cross-validated data.

What is Cr2Re1Ti1?

Cr2Re1Ti1 is a semimetallic ternary compound of chromium, rhenium, and titanium that exists as a metastable phase with diverse structural possibilities.

More questions
What is Cr2Re1Ti1 used for?
Cr2Re1Ti1 is used in fundamental condensed matter research, materials discovery, and electronic property investigation.
What is the band gap of Cr2Re1Ti1?
Cr2Re1Ti1 has a DFT-computed band gap of 0.08 eV across 27 reported structures.
Is Cr2Re1Ti1 a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is Cr2Re1Ti1 thermodynamically stable?
Cr2Re1Ti1 has a lowest energy above hull of 4.162 eV/atom (above hull).
How many polymorphs of Cr2Re1Ti1 are known?
27 structures of Cr2Re1Ti1 are reported across 2 databases, spanning 14 distinct space groups.
What elements does Cr2Re1Ti1 contain?
Cr2Re1Ti1 contains Cr, Re, and Ti (3 elements).
Where does the data for Cr2Re1Ti1 come from?
Cr2Re1Ti1 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique ternary combination of transition metals, Cr2Re1Ti1 represents an exploratory phase in materials discovery. Unlike more conventional binary alloys, this compound serves as a case study in how the integration of rhenium and titanium into a chromium-based lattice influences electronic density near the Fermi level.

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

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