Lu2Se3

Lutetium selenide is a binary inorganic compound composed of the rare earth metal lutetium and the chalcogen selenium. It is primarily utilized in specialized research settings for the investigation of semiconductor properties and advanced materials science applications.

LuSe
Crystal structure of Lu2Se3 (orthorhombic, Fddd (No. 70))
Ground-state structure · Materials Project
Overview

Key Properties

Cross-validated computational properties for Lu2Se3, aggregated across 3 databases.

Band Gap

1.34–1.79 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

15
3 databases, 7 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for Lu2Se3, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Fddd (No. 70)orthorhombic1.340.0000-25.9677.26
I-42d (No. 122)tetragonal1.790.1104-25.8578.25
C2/m (No. 12)
Immm (No. 71)Orthorhombic12.39
I4/mmm (No. 139)Tetragonal6.87
Immm (No. 71)Orthorhombic8.97
P4mm (No. 99)Tetragonal8.40
P4mm (No. 99)Tetragonal6.82
P4mm (No. 99)Tetragonal6.78
Cmmm (No. 65)Orthorhombic7.19
Cmmm (No. 65)Orthorhombic7.32
Fddd (No. 70)Orthorhombic7.07
Uses

Applications

Where Lu2Se3 is used.

Semiconductor researchMaterials science studiesSolid-state chemistry
Reference

Frequently Asked Questions

Common questions about Lu2Se3, answered from cross-validated data.

What is Lu2Se3?

Lutetium selenide is a binary inorganic compound composed of the rare earth metal lutetium and the chalcogen selenium. It is primarily utilized in specialized research settings for the investigation of semiconductor properties and advanced materials science applications.

More questions
What is Lu2Se3 used for?
Lu2Se3 is used in semiconductor research, materials science studies, and solid-state chemistry.
What is the band gap of Lu2Se3?
Lu2Se3 has a DFT-computed band gap of 1.34–1.79 eV across 15 reported structures.
Is Lu2Se3 a metal, semiconductor, or insulator?
With a band gap up to 1.79 eV it is a semiconductor.
Is Lu2Se3 thermodynamically stable?
Yes — Lu2Se3 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Lu2Se3?
The lowest-energy reported polymorph of Lu2Se3 is orthorhombic symmetry, space group Fddd (No. 70).
What is the density of Lu2Se3?
The computed density of the ground-state structure of Lu2Se3 is 7.26 g/cm³.
How many polymorphs of Lu2Se3 are known?
15 structures of Lu2Se3 are reported across 3 databases, spanning 7 distinct space groups.
What elements does Lu2Se3 contain?
Lu2Se3 contains Lu and Se (2 elements).
Where does the data for Lu2Se3 come from?
Lu2Se3 data is cross-referenced from materials_project, nomad, mpaloe.
Data sources & attribution
  • materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
  • nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
  • mpaloe — Data from mpaloe.

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