Cl2Re1Te1

Cl2Re1Te1 is a stable, semiconducting ternary compound containing rhenium, tellurium, and chlorine atoms.

ClReTe
Overview

About Cl2Re1Te1

Cl2Re1Te1 is a distinct inorganic compound composed of rhenium, tellurium, and chlorine. As a thermodynamically stable phase located on the convex hull, it represents a robust structural configuration within its chemical system.

This material exhibits semiconducting electronic character, making it an intriguing candidate for specialized solid-state applications. Its structural complexity is highlighted by a significant number of reported configurations, indicating a rich landscape for crystallographic research.

At a glance

Key Properties

Cross-validated computational properties for Cl2Re1Te1, aggregated across 2 databases.

Band Gap

2.15 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
1 DFT source

Structures

26
2 databases, 16 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Cl2Re1Te1, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
I-4 (No. 82)tetragonal2.150.0000-4.7284.99
Pmmm (No. 47)
C2/m (No. 12)
Cm (No. 8)
P4/mmm (No. 123)
I4/mmm (No. 139)
P4mm (No. 99)
P4/mmm (No. 123)
Imm2 (No. 44)
Pm (No. 6)
F-43m (No. 216)
Immm (No. 71)
Uses

Applications

Where Cl2Re1Te1 is used.

Solid-state electronic researchSemiconductor materials developmentCrystallographic studies
Reference

Frequently Asked Questions

Common questions about Cl2Re1Te1, answered from cross-validated data.

What is Cl2Re1Te1?

Cl2Re1Te1 is a stable, semiconducting ternary compound containing rhenium, tellurium, and chlorine atoms.

More questions
What is Cl2Re1Te1 used for?
Cl2Re1Te1 is used in solid-state electronic research, semiconductor materials development, and crystallographic studies.
What is the band gap of Cl2Re1Te1?
Cl2Re1Te1 has a DFT-computed band gap of 2.15 eV across 26 reported structures.
Is Cl2Re1Te1 a metal, semiconductor, or insulator?
With a band gap up to 2.15 eV it is a semiconductor.
Is Cl2Re1Te1 thermodynamically stable?
Yes — Cl2Re1Te1 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Cl2Re1Te1?
The lowest-energy reported polymorph of Cl2Re1Te1 is tetragonal symmetry, space group I-4 (No. 82).
What is the density of Cl2Re1Te1?
The computed density of the ground-state structure of Cl2Re1Te1 is 4.99 g/cm³.
How many polymorphs of Cl2Re1Te1 are known?
26 structures of Cl2Re1Te1 are reported across 2 databases, spanning 16 distinct space groups.
What elements does Cl2Re1Te1 contain?
Cl2Re1Te1 contains Cl, Re, and Te (3 elements).
Where does the data for Cl2Re1Te1 come from?
Cl2Re1Te1 data is cross-referenced from materials_project, aflow.
Comparison

How It Compares

As a unique ternary halide-chalcogenide, Cl2Re1Te1 occupies a specialized niche in materials science. Without direct structural siblings in this specific grouping, it serves as a primary reference point for understanding the interplay between transition metal, chalcogen, and halogen bonding in stable semiconducting frameworks.

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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