LaSb

LaSb is a stable metallic compound consisting of lanthanum and antimony.

LaSb
Crystal structure of LaSb (cubic, Fm-3m (No. 225))
Ground-state structure · Materials Project
Overview

About LaSb

LaSb is a metallic compound formed from lanthanum and antimony. As a thermodynamically stable phase located on the convex hull, it represents a robust structural configuration within its chemical system.

Due to its metallic nature and structural stability, this material serves as a subject of interest in condensed matter research. It is frequently investigated for its electronic transport characteristics and potential utility in specialized materials science applications.

At a glance

Key Properties

Cross-validated computational properties for LaSb, aggregated across 6 databases.

Band Gap

1.42 eV
Range across DFT structures · ground state: small gap

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

Stable
4 DFT sources

Structures

42
6 databases, 10 space groups
Validation

Cross-Source DFT Agreement

How well independent DFT databases agree on the thermodynamics of LaSb. Tight agreement means computed properties can be trusted without re-running calculations.

Agreement Score

1.00 / 1.00
Trust tier: high

Hull Spread

0.000 eV
EAH spread across sources

Sources Compared

3
jarvis, materials_project, oqmd

Space Group Consensus

All match
Crystallography

Reported Structures

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

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Fm-3m (No. 225)cubic0.000.0000-29.2566.13
Fm-3m (No. 225)cubic0.000.0000-1.327—
——0.000.0000-1.276—
——0.000.0000-1.276—
——0.000.0149-1.261—
P4/mmm (No. 123)tetragonal0.000.2164-29.0397.10
——0.000.2243-1.052—
P4/mmm (No. 123)tetragonal0.000.2425-1.085—
——0.000.2566-1.019—
——0.000.2601-1.016—
——0.000.2822-0.994—
——0.000.4399-0.836—
Uses

Applications

Where LaSb is used.

Condensed matter researchElectronic materials development
Reference

Frequently Asked Questions

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

What is LaSb?

LaSb is a stable metallic compound consisting of lanthanum and antimony.

More questions
What is LaSb used for?
LaSb is used in condensed matter research and electronic materials development.
What is the band gap of LaSb?
LaSb has a DFT-computed band gap of 1.42 eV across 42 reported structures. Standard DFT underestimates band gaps, so the measured gap is typically larger.
Is LaSb a metal, semiconductor, or insulator?
DFT predicts a band gap of up to 1.42 eV (a semiconductor). Measured gaps are typically larger.
Is LaSb thermodynamically stable?
Yes — LaSb sits on the convex hull (energy above hull 0 eV/atom), i.e. stable.
What is the crystal structure of LaSb?
The reference structure of LaSb is cubic symmetry, space group Fm-3m (No. 225).
What is the density of LaSb?
The computed density of the ground-state structure of LaSb is 6.13 g/cm³.
How many polymorphs of LaSb are known?
42 structures of LaSb are reported across 6 databases, spanning 10 distinct space groups.
What elements does LaSb contain?
LaSb contains La and Sb (2 elements).
Where does the data for LaSb come from?
LaSb data is cross-referenced from materials_project, jarvis, oqmd, mpaloe, cod, nomad.
Comparison

How It Compares

As a stable binary intermetallic, LaSb serves as a foundational reference point for studying the interactions between rare-earth elements and pnictogens, providing a baseline for understanding the structural and electronic trends observed in similar lanthanum-based pnictide systems.

Data sources & attribution
  • materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
  • jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
  • oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
  • mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
  • cod — Data from the Crystallography Open Database (crystallography.net/cod/). Cite: Grazulis et al., J. Appl. Cryst. 42, 726 (2009). (CC0-1.0)
  • nomad — Data from NOMAD (nomad-lab.eu). Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019). (CC-BY-4.0)

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