NdFe2
NdFe2 has a DFT band gap of Metallic / not reported across 7 reported structures in 4 space groups. Cross-validated across 4 computational databases.
At a glance
Key Properties
Cross-validated computational properties for NdFe2, 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.
Metallic / not reported
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.
0.081 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.
Metastable
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
7
4 databases, 4 space groups
Synthesis
Synthesis Routes
Literature-extracted synthesis procedures targeting NdFe2.
Solid State
Procedure available · ceder_solid_state
Reference
Frequently Asked Questions
Common questions about NdFe2, answered from cross-validated data.
What is the band gap of NdFe2?
NdFe2 is computed to be metallic (no band gap) in the reported DFT structures.
More questions
Is NdFe2 a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is NdFe2 thermodynamically stable?
NdFe2 has a lowest energy above hull of 0.081 eV/atom (metastable).
How many polymorphs of NdFe2 are known?
7 structures of NdFe2 are reported across 4 databases, spanning 4 distinct space groups.
How is NdFe2 synthesized?
Literature-reported routes for NdFe2 include solid state.
What elements does NdFe2 contain?
NdFe2 contains Fe and Nd (2 elements).
Where does the data for NdFe2 come from?
NdFe2 data is cross-referenced from latticegraph.
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Related Compounds
Other Rare-Earth Permanent Magnets in the database.
Data sources & attribution
- latticegraph — Lattice Graph Materials Intelligence Platform
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