TlCO2

TlCO2 is a metastable semiconducting compound containing thallium, carbon, and oxygen that is primarily used in fundamental materials science research.

COTl
Crystal structure of TlCO2
Ground-state structure · Materials Project
Overview

About TlCO2

TlCO2 is a complex inorganic compound composed of thallium, carbon, and oxygen. As a metastable material, it represents a unique structural configuration that is of significant interest for fundamental solid-state research and materials discovery. Its semiconducting electronic character suggests potential for specialized electronic applications where specific charge transport properties are required. The existence of multiple reported structural phases across databases highlights its versatility and the ongoing scientific interest in its crystalline arrangements. This compound serves as a valuable subject for investigating the interplay between heavy metal cations and oxyanions in non-equilibrium states.

At a glance

Key Properties

Cross-validated computational properties for TlCO2, aggregated across 4 databases.

Band Gap

2.89 eV
Range across DFT structures

Energy Above Hull

0.042 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

12
4 databases, 5 space groups
Uses

Applications

Where TlCO2 is used.

Solid-state researchMaterials discoveryFundamental electronic property studies
Reference

Frequently Asked Questions

Common questions about TlCO2, answered from cross-validated data.

What is TlCO2?

TlCO2 is a metastable semiconducting compound containing thallium, carbon, and oxygen that is primarily used in fundamental materials science research.

More questions
What is TlCO2 used for?
TlCO2 is used in solid-state research, materials discovery, and fundamental electronic property studies.
What is the band gap of TlCO2?
TlCO2 has a DFT-computed band gap of 2.89 eV across 12 reported structures.
Is TlCO2 a metal, semiconductor, or insulator?
With a band gap up to 2.89 eV it is a semiconductor.
Is TlCO2 thermodynamically stable?
TlCO2 has a lowest energy above hull of 0.042 eV/atom (metastable).
How many polymorphs of TlCO2 are known?
12 structures of TlCO2 are reported across 4 databases, spanning 5 distinct space groups.
What elements does TlCO2 contain?
TlCO2 contains C, O, and Tl (3 elements).
Where does the data for TlCO2 come from?
TlCO2 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a unique inorganic compound, TlCO2 occupies a distinct position in materials science research. While many related thallium-based oxides or carbonates are studied for their high-temperature superconductivity or optical properties, TlCO2 is primarily examined for its metastable nature and semiconducting behavior, providing a benchmark for understanding the stability limits of thallium-carbon-oxygen systems.

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

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