Fe2P
Iron phosphide · Diron phosphide
Iron phosphide is a binary inorganic compound composed of iron and phosphorus. It is primarily utilized in metallurgical processes and as a precursor for the synthesis of various functional materials.
Overview
Key Properties
Cross-validated computational properties for Iron phosphide, 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.
0.000 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)
3 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
47
4 databases, 6 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Fe2P, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| P-62m (No. 189) | hexagonal | 0.00 | 0.0000 | -7.909 | 7.23 |
| P-62m (No. 189) | — | — | — | — | — |
| P-62m (No. 189) | Hexagonal | — | — | — | 7.08 |
| P-62m (No. 189) | Hexagonal | — | — | — | 7.42 |
| P-62m (No. 189) | Hexagonal | — | — | — | 7.24 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.55 |
| C2/m (No. 12) | Monoclinic | — | — | — | 6.75 |
| C2/m (No. 12) | Monoclinic | — | — | — | 6.58 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.51 |
| I4/mmm (No. 139) | Tetragonal | — | — | — | 6.24 |
| I4/mmm (No. 139) | Tetragonal | — | — | — | 6.57 |
| Cc (No. 9) | Monoclinic | — | — | — | 6.33 |
Uses
Applications
Where Iron phosphide is used.
Metallurgical additivesCatalyst developmentMagnetic material researchSurface coating applications
Reference
Frequently Asked Questions
Common questions about Iron phosphide, answered from cross-validated data.
What is Fe2P?
Iron phosphide is a binary inorganic compound composed of iron and phosphorus. It is primarily utilized in metallurgical processes and as a precursor for the synthesis of various functional materials.
More questions
What is Fe2P used for?
Iron phosphide (Fe2P) is used in metallurgical additives, catalyst development, magnetic material research, and surface coating applications.
What is the band gap of Fe2P?
Iron phosphide (Fe2P) is computed to be metallic (no band gap) in the reported DFT structures.
Is Fe2P a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is Fe2P thermodynamically stable?
Yes — Iron phosphide (Fe2P) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Fe2P?
The lowest-energy reported polymorph of Iron phosphide (Fe2P) is hexagonal symmetry, space group P-62m (No. 189).
What is the density of Fe2P?
The computed density of the ground-state structure of Iron phosphide (Fe2P) is 7.23 g/cm³.
How many polymorphs of Fe2P are known?
47 structures of Fe2P are reported across 4 databases, spanning 6 distinct space groups.
What elements does Fe2P contain?
Iron phosphide (Fe2P) contains Fe and P (2 elements).
Where does the data for Fe2P come from?
Fe2P data is cross-referenced from materials_project, jarvis, mpaloe.
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Related Compounds
Other Transition-Metal Phosphide Catalysts in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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