Cl12Tb4

Cl12Tb4 is a stable, insulating terbium chloride compound used primarily in fundamental solid-state research.

ClTb
Crystal structure of Cl12Tb4 (orthorhombic, Cmcm (No. 63))
Ground-state structure · Materials Project
Overview

About Cl12Tb4

Cl12Tb4 is a stable inorganic compound composed of terbium and chlorine. As a wide-gap insulator, it exhibits distinct electronic properties that define its behavior within solid-state systems, marking it as a thermodynamically favored phase on the convex hull.

Its structural diversity is evidenced by multiple reported configurations across scientific databases. This compound serves as a critical reference point for researchers investigating the complex coordination chemistry and bonding environments of rare-earth halides.

At a glance

Key Properties

Cross-validated computational properties for Cl12Tb4, aggregated across 3 databases.

Band Gap

3.80–4.52 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

5
3 databases, 3 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Cl12Tb4, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Cmcm (No. 63)orthorhombic3.800.0000-14.9604.45
P63/m (No. 176)hexagonal4.100.0073-14.9534.58
P42/mnm (No. 136)tetragonal4.520.0165-14.9443.66
P42/mnm (No. 136)
2.47
Uses

Applications

Where Cl12Tb4 is used.

Solid-state chemistry researchRare-earth halide coordination studies
Reference

Frequently Asked Questions

Common questions about Cl12Tb4, answered from cross-validated data.

What is Cl12Tb4?

Cl12Tb4 is a stable, insulating terbium chloride compound used primarily in fundamental solid-state research.

More questions
What is Cl12Tb4 used for?
Cl12Tb4 is used in solid-state chemistry research and rare-earth halide coordination studies.
What is the band gap of Cl12Tb4?
Cl12Tb4 has a DFT-computed band gap of 3.80–4.52 eV across 5 reported structures.
Is Cl12Tb4 a metal, semiconductor, or insulator?
With a wide band gap up to 4.52 eV it is an insulator / wide-band-gap material.
Is Cl12Tb4 thermodynamically stable?
Yes — Cl12Tb4 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Cl12Tb4?
The lowest-energy reported polymorph of Cl12Tb4 is orthorhombic symmetry, space group Cmcm (No. 63).
What is the density of Cl12Tb4?
The computed density of the ground-state structure of Cl12Tb4 is 4.45 g/cm³.
How many polymorphs of Cl12Tb4 are known?
5 structures of Cl12Tb4 are reported across 3 databases, spanning 3 distinct space groups.
What elements does Cl12Tb4 contain?
Cl12Tb4 contains Cl and Tb (2 elements).
Where does the data for Cl12Tb4 come from?
Cl12Tb4 data is cross-referenced from materials_project, aflow, omat24.
Comparison

How It Compares

As a specialized rare-earth halide, Cl12Tb4 occupies a unique position in the landscape of inorganic materials. Without direct structural siblings in this specific grouping, it serves as a primary example of how terbium-based halides maintain thermodynamic stability while providing a clear, insulating electronic profile for fundamental materials research.

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).
  • omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).

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