FeBiO3
FeBiO3 has a DFT band gap of 0.13–1.78 eV across 41 reported structures in 14 space groups. Cross-validated across 4 computational databases.
Key Properties
Cross-validated computational properties for FeBiO3, aggregated across 4 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.
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.
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.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Synthesis Routes
Literature-extracted synthesis procedures targeting FeBiO3.
Frequently Asked Questions
Common questions about FeBiO3, answered from cross-validated data.
What is the band gap of FeBiO3?
FeBiO3 has a DFT-computed band gap of 0.13–1.78 eV across 41 reported structures.
Is FeBiO3 a metal, semiconductor, or insulator?
Is FeBiO3 thermodynamically stable?
How many polymorphs of FeBiO3 are known?
How is FeBiO3 synthesized?
What elements does FeBiO3 contain?
Where does the data for FeBiO3 come from?
Related Research
A catalog of interpretation errors and compute failure modes from our materials discovery pipeline: thermostat overshoot (625K target / 750K actual), MACE artifacts on perovskites, PBE bandgaps presented without HSE correction, metallic DFPT results, phonon instabilities, 53 files with THz vs cm⁻¹ confusion, and more.
Every single Modal QE DFPT and HSE06 result from our April 2026 GPU compute campaign was an error payload, not usable data. 13 files landed on the volume with status ERROR, PSEUDO_ERROR, SCF_FAILED, DFPT_FAILED, PARSE_ERROR, or NOT_CONVERGED. The honest-null pattern in our ledger is what saved rankings from corruption.
Related Compounds
Other Oxide Oxygen-Evolution Catalysts in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
Analyze FeBiO3 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →