CaLaFeO4

CaLaFeO4 is a metastable semiconducting quaternary oxide used primarily in fundamental materials science research.

CaFeLaO
Crystal structure of CaLaFeO4
Ground-state structure · Materials Project
Overview

About CaLaFeO4

CaLaFeO4 is a complex oxide composed of calcium, lanthanum, iron, and oxygen. As a semiconducting material, it exhibits electronic properties that make it a subject of interest for fundamental studies in solid-state chemistry and materials design. Its metastable nature suggests a unique structural landscape that requires precise synthesis conditions to stabilize its crystalline form. Because it has been documented across multiple databases, it serves as a valuable reference point for researchers investigating the interplay between transition metal oxides and rare-earth elements. The material is primarily utilized in experimental settings to explore magnetic and electronic phenomena inherent to its specific atomic arrangement.

At a glance

Key Properties

Cross-validated computational properties for CaLaFeO4, aggregated across 3 databases.

Band Gap

0.47–1.40 eV
Range across DFT structures

Energy Above Hull

0.077 eV/atom
Best (lowest) across sources

Stability

Metastable
2 DFT sources

Structures

10
3 databases, 2 space groups
Uses

Applications

Where CaLaFeO4 is used.

Solid-state chemistry researchElectronic materials developmentFundamental magnetic studies
Reference

Frequently Asked Questions

Common questions about CaLaFeO4, answered from cross-validated data.

What is CaLaFeO4?

CaLaFeO4 is a metastable semiconducting quaternary oxide used primarily in fundamental materials science research.

More questions
What is CaLaFeO4 used for?
CaLaFeO4 is used in solid-state chemistry research, electronic materials development, and fundamental magnetic studies.
What is the band gap of CaLaFeO4?
CaLaFeO4 has a DFT-computed band gap of 0.47–1.40 eV across 10 reported structures.
Is CaLaFeO4 a metal, semiconductor, or insulator?
With a band gap up to 1.40 eV it is a semiconductor.
Is CaLaFeO4 thermodynamically stable?
CaLaFeO4 has a lowest energy above hull of 0.077 eV/atom (metastable).
How many polymorphs of CaLaFeO4 are known?
10 structures of CaLaFeO4 are reported across 3 databases, spanning 2 distinct space groups.
What elements does CaLaFeO4 contain?
CaLaFeO4 contains Ca, Fe, La, and O (4 elements).
Where does the data for CaLaFeO4 come from?
CaLaFeO4 data is cross-referenced from latticegraph.
Comparison

How It Compares

As a specialized oxide, CaLaFeO4 occupies a distinct niche within the broader family of perovskite-related structures. While it lacks direct structural siblings in this context, it functions as a representative of complex quaternary oxides where the balancing of valence states between iron and the surrounding cations dictates its semiconducting behavior.

Data sources & attribution
  • latticegraph — Lattice Graph Materials Intelligence Platform

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