LaCrO3

Lanthanum chromite · Lanthanum chromium oxide

Lanthanum chromite is a stable semiconducting ceramic oxide primarily used in high-temperature fuel cell technology and catalytic processes.

Crystal structure of LaCrO3 (orthorhombic, Pnma (No. 62))
Ground-state structure · Materials Project
Overview

About Lanthanum chromite

Lanthanum chromite is a thermodynamically stable oxide that exhibits semiconducting behavior. Its robust structural integrity makes it a vital candidate for demanding environments where chemical and thermal resilience are required for catalytic performance.

This material is widely utilized in advanced energy applications, particularly as an interconnect material in solid oxide fuel cells. Its ability to maintain stability while facilitating electronic transport under harsh operating conditions distinguishes it as a key functional ceramic.

At a glance

Key Properties

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

Band Gap

1.90–2.37 eV
Range across DFT structures

Energy Above Hull

0.000 eV/atom
Best (lowest) across sources

Stability

On hull (stable)
2 DFT sources

Structures

13
4 databases, 4 space groups
Crystallography

Reported Structures

Lowest-energy structures reported for LaCrO3, ranked by energy above hull.

Space GroupCrystal SystemBand Gap (eV)E above hull (eV/atom)E/atom (eV)Density (g/cm³)
Pnma (No. 62)orthorhombic2.370.0000-9.0836.71
R-3c (No. 167)trigonal0.000.0035-9.0806.73
Pm-3m (No. 221)cubic1.900.0915-8.9926.55
Pm-3m (No. 221)Cubic6.55
Pm-3m (No. 221)Cubic7.07
Pm-3m (No. 221)Cubic6.79
Pnma (No. 62)
R-3c (No. 167)
Pm-3m (No. 221)
Pnma (No. 62)
Pnma (No. 62)
Pm-3m (No. 221)
Uses

Applications

Where Lanthanum chromite is used.

Solid oxide fuel cell interconnectsHigh-temperature sensorsCatalytic oxidationHeating elements
Reference

Frequently Asked Questions

Common questions about Lanthanum chromite, answered from cross-validated data.

What is LaCrO3?

Lanthanum chromite is a stable semiconducting ceramic oxide primarily used in high-temperature fuel cell technology and catalytic processes.

More questions
What is LaCrO3 used for?
Lanthanum chromite (LaCrO3) is used in solid oxide fuel cell interconnects, high-temperature sensors, catalytic oxidation, and heating elements.
What is the band gap of LaCrO3?
Lanthanum chromite (LaCrO3) has a DFT-computed band gap of 1.90–2.37 eV across 13 reported structures.
Is LaCrO3 a metal, semiconductor, or insulator?
With a band gap up to 2.37 eV it is a semiconductor.
Is LaCrO3 thermodynamically stable?
Yes — Lanthanum chromite (LaCrO3) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of LaCrO3?
The lowest-energy reported polymorph of Lanthanum chromite (LaCrO3) is orthorhombic symmetry, space group Pnma (No. 62).
What is the density of LaCrO3?
The computed density of the ground-state structure of Lanthanum chromite (LaCrO3) is 6.71 g/cm³.
How many polymorphs of LaCrO3 are known?
13 structures of LaCrO3 are reported across 4 databases, spanning 4 distinct space groups.
What elements does LaCrO3 contain?
Lanthanum chromite (LaCrO3) contains Cr, La, and O (3 elements).
Where does the data for LaCrO3 come from?
LaCrO3 data is cross-referenced from materials_project, mpaloe, jarvis, cod.
Comparison

How It Compares

Within the spinel oxide catalysts class.

Within the broader class of spinel and perovskite-related oxides, LaCrO3 stands out for its superior structural stability compared to more volatile members like LaNiO3. While materials such as ZnO or NiO are often studied for their simpler binary catalytic properties, LaCrO3 offers a more complex, stable framework that is better suited for high-temperature electrochemical applications.

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Related Compounds

Other Spinel Oxide Catalysts in the database.

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).
  • cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).

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