Cd1Sb1Tl2

Cd1Sb1Tl2 is a thermodynamically stable, semimetallic inorganic compound characterized by its structural complexity and near-zero-gap electronic nature.

CdSbTl
Overview

About Cd1Sb1Tl2

Cd1Sb1Tl2 is a thermodynamically stable inorganic compound that exists on the convex hull, indicating significant structural robustness. Its electronic character is defined as near-zero-gap, placing it in the category of semimetallic materials that bridge the gap between conductors and semiconductors.

This compound is notable for its structural diversity, with numerous reported configurations across material databases. Its unique composition of cadmium, antimony, and thallium makes it a subject of interest for fundamental studies in solid-state physics and materials science.

At a glance

Key Properties

Cross-validated computational properties for Cd1Sb1Tl2, aggregated across 2 databases.

Band Gap

0.04 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
1 DFT source

Structures

27
2 databases, 18 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Cd1Sb1Tl2, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
C2/m (No. 12)monoclinic0.040.0000-30.5898.92
C2/m (No. 12)
Pmm2 (No. 25)
P4mm (No. 99)
Pmmm (No. 47)
Pmmm (No. 47)
P4/mmm (No. 123)
R-3m (No. 166)
Pm (No. 6)
P4mm (No. 99)
P2/m (No. 10)
I-4m2 (No. 119)
Uses

Applications

Where Cd1Sb1Tl2 is used.

Fundamental materials science researchSolid-state electronic property studies
Reference

Frequently Asked Questions

Common questions about Cd1Sb1Tl2, answered from cross-validated data.

What is Cd1Sb1Tl2?

Cd1Sb1Tl2 is a thermodynamically stable, semimetallic inorganic compound characterized by its structural complexity and near-zero-gap electronic nature.

More questions
What is Cd1Sb1Tl2 used for?
Cd1Sb1Tl2 is used in fundamental materials science research and solid-state electronic property studies.
What is the band gap of Cd1Sb1Tl2?
Cd1Sb1Tl2 has a DFT-computed band gap of 0.04 eV across 27 reported structures.
Is Cd1Sb1Tl2 a metal, semiconductor, or insulator?
With a near-zero band gap it behaves as a (semi)metal.
Is Cd1Sb1Tl2 thermodynamically stable?
Yes — Cd1Sb1Tl2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Cd1Sb1Tl2?
The lowest-energy reported polymorph of Cd1Sb1Tl2 is monoclinic symmetry, space group C2/m (No. 12).
What is the density of Cd1Sb1Tl2?
The computed density of the ground-state structure of Cd1Sb1Tl2 is 8.92 g/cm³.
How many polymorphs of Cd1Sb1Tl2 are known?
27 structures of Cd1Sb1Tl2 are reported across 2 databases, spanning 18 distinct space groups.
What elements does Cd1Sb1Tl2 contain?
Cd1Sb1Tl2 contains Cd, Sb, and Tl (3 elements).
Where does the data for Cd1Sb1Tl2 come from?
Cd1Sb1Tl2 data is cross-referenced from materials_project, aflow.
Comparison

How It Compares

As a thermodynamically stable semimetallic phase, Cd1Sb1Tl2 serves as a distinct example of complex ternary systems. Without direct structural siblings in this specific class, it stands as a primary reference point for understanding the interplay between heavy metal elements and pnictogens in creating stable, low-gap electronic environments.

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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