ThTe3

Thorium tritelluride is a metallic inorganic compound belonging to the family of rare-earth and actinide tellurides. It is primarily studied in condensed matter physics for its structural properties and its behavior as a low-dimensional electronic system.

TeTh
Crystal structure of ThTe3 (monoclinic, P21/m (No. 11))
Ground-state structure · Materials Project
Overview

Key Properties

Cross-validated computational properties for ThTe3, aggregated across 3 databases.

Band Gap

0.68 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, 1 space group
Crystallography

Reported Structures

Lowest-energy structures reported for ThTe3, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
P21/m (No. 11)monoclinic0.680.0000-38.5946.86
P21/m (No. 11)Monoclinic6.84
P21/m (No. 11)Monoclinic6.86
P21/m (No. 11)Monoclinic6.86
P21/m (No. 11)
Uses

Applications

Where ThTe3 is used.

Fundamental condensed matter physics researchStudy of charge density wave phenomenaMaterials science exploration of actinide chalcogenides
Reference

Frequently Asked Questions

Common questions about ThTe3, answered from cross-validated data.

What is ThTe3?

Thorium tritelluride is a metallic inorganic compound belonging to the family of rare-earth and actinide tellurides. It is primarily studied in condensed matter physics for its structural properties and its behavior as a low-dimensional electronic system.

More questions
What is ThTe3 used for?
ThTe3 is used in fundamental condensed matter physics research, study of charge density wave phenomena, and materials science exploration of actinide chalcogenides.
What is the band gap of ThTe3?
ThTe3 has a DFT-computed band gap of 0.68 eV across 5 reported structures.
Is ThTe3 a metal, semiconductor, or insulator?
With a band gap up to 0.68 eV it is a semiconductor.
Is ThTe3 thermodynamically stable?
Yes — ThTe3 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of ThTe3?
The lowest-energy reported polymorph of ThTe3 is monoclinic symmetry, space group P21/m (No. 11).
What is the density of ThTe3?
The computed density of the ground-state structure of ThTe3 is 6.86 g/cm³.
How many polymorphs of ThTe3 are known?
5 structures of ThTe3 are reported across 3 databases, spanning 1 distinct space group.
What elements does ThTe3 contain?
ThTe3 contains Te and Th (2 elements).
Where does the data for ThTe3 come from?
ThTe3 data is cross-referenced from materials_project, mpaloe, jarvis.
Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • mpaloe — Data from mpaloe.
  • jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).

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