As2Fe1
As2Fe1 has a DFT band gap of 0.28 eV across 17 reported structures in 7 space groups. Cross-validated across 2 computational databases.
At a glance
Key Properties
Cross-validated computational properties for As2Fe1, 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.
0.28 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.
0.000 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.
On hull (stable)
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
17
2 databases, 7 space groups
Reference
Frequently Asked Questions
Common questions about As2Fe1, answered from cross-validated data.
What is the band gap of As2Fe1?
As2Fe1 has a DFT-computed band gap of 0.28 eV across 17 reported structures.
More questions
Is As2Fe1 a metal, semiconductor, or insulator?
With a band gap up to 0.28 eV it is a semiconductor.
Is As2Fe1 thermodynamically stable?
Yes — As2Fe1 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
How many polymorphs of As2Fe1 are known?
17 structures of As2Fe1 are reported across 2 databases, spanning 7 distinct space groups.
What elements does As2Fe1 contain?
As2Fe1 contains As and Fe (2 elements).
Where does the data for As2Fe1 come from?
As2Fe1 data is cross-referenced from latticegraph.
Explore
Related Compounds
Other Skutterudite Thermoelectrics in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
Analyze As2Fe1 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →