FeP4
FeP4 is a stable semiconducting iron phosphide compound used in the study of transition-metal-based catalysts.
About FeP4
FeP4 is a semiconducting transition-metal phosphide that occupies a stable position on the thermodynamic convex hull. Its structural integrity and electronic properties make it a subject of significant interest within the broader family of metal phosphides used in electrochemical processes.
As a member of the transition-metal phosphide class, this compound is studied for its potential to facilitate chemical transformations. Its stability suggests a robust framework capable of maintaining performance in demanding catalytic environments.
Key Properties
Cross-validated computational properties for FeP4, aggregated across 3 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.
Reported Structures
Lowest-energy structures reported for FeP4, 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. |
|---|---|---|---|---|---|
| C2/c (No. 15) | monoclinic | 0.80 | 0.0000 | -6.396 | 4.14 |
| P21/c (No. 14) | monoclinic | 1.07 | 0.0057 | -6.391 | 4.17 |
| C2221 (No. 20) | orthorhombic | 0.83 | 0.0282 | -6.368 | 4.26 |
| P21/c (No. 14) | Monoclinic | — | — | — | 4.18 |
| C2/c (No. 15) | Monoclinic | — | — | — | 4.14 |
| C2/c (No. 15) | Monoclinic | — | — | — | 4.09 |
| C2221 (No. 20) | Orthorhombic | — | — | — | 4.27 |
| C2221 (No. 20) | Orthorhombic | — | — | — | 4.32 |
| C2221 (No. 20) | — | — | — | — | — |
| C2/c (No. 15) | — | — | — | — | — |
| P21/c (No. 14) | — | — | — | — | — |
| P-1 (No. 2) | Triclinic | — | — | — | 5.26 |
Applications
Where FeP4 is used.
Frequently Asked Questions
Common questions about FeP4, answered from cross-validated data.
What is FeP4?
FeP4 is a stable semiconducting iron phosphide compound used in the study of transition-metal-based catalysts.
What is FeP4 used for?
What is the band gap of FeP4?
Is FeP4 a metal, semiconductor, or insulator?
Is FeP4 thermodynamically stable?
What is the crystal structure of FeP4?
What is the density of FeP4?
How many polymorphs of FeP4 are known?
What elements does FeP4 contain?
Where does the data for FeP4 come from?
How It Compares
Within the transition-metal phosphide catalysts class.
Within the diverse group of transition-metal phosphides, FeP4 represents a phosphorus-rich phase that contrasts with more metal-rich counterparts like Ni2P. While materials such as FeP and FeP2 are frequently investigated for their specific catalytic activities, FeP4 offers a distinct stoichiometric profile that expands the available design space for optimizing electronic and surface characteristics in catalytic systems.
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).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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