LaFeAsO
LaFeAsO has a DFT band gap of 1.29 eV across 5 reported structures in 3 space groups. Cross-validated across 2 computational databases.
At a glance
Key Properties
Cross-validated computational properties for LaFeAsO, aggregated across 2 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
1.29 eV
Range across DFT structures
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
0.173 eV/atom
Best (lowest) across sources
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
Above hull
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
5
2 databases, 3 space groups
Synthesis
Synthesis Routes
Literature-extracted synthesis procedures targeting LaFeAsO.
Solid State
Procedure available · ceder_solid_state
Solid State
Procedure available · ceder_solid_state
Solid State
Procedure available · ceder_solid_state
Solid State
Procedure available · ceder_solid_state
Reference
Frequently Asked Questions
Common questions about LaFeAsO, answered from cross-validated data.
What is the band gap of LaFeAsO?
LaFeAsO has a DFT-computed band gap of 1.29 eV across 5 reported structures.
More questions
Is LaFeAsO a metal, semiconductor, or insulator?
With a band gap up to 1.29 eV it is a semiconductor.
Is LaFeAsO thermodynamically stable?
LaFeAsO has a lowest energy above hull of 0.173 eV/atom (above hull).
How many polymorphs of LaFeAsO are known?
5 structures of LaFeAsO are reported across 2 databases, spanning 3 distinct space groups.
How is LaFeAsO synthesized?
Literature-reported routes for LaFeAsO include solid state (4 procedures documented).
What elements does LaFeAsO contain?
LaFeAsO contains As, Fe, La, and O (4 elements).
Where does the data for LaFeAsO come from?
LaFeAsO data is cross-referenced from latticegraph.
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Related Compounds
Other Iron-Based Superconductors in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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