FeMoP
FeMoP is a thermodynamically stable metallic ternary phosphide used in materials science research.
About FeMoP
FeMoP is a metallic phosphide that exists as a thermodynamically stable phase on the convex hull. Its structural integrity and electronic properties make it a subject of significant interest within the broader family of phosphide-based materials.
As a member of the skutterudite-related class, this compound is studied for its potential role in energy conversion technologies. Its metallic nature distinguishes it from many insulating counterparts, positioning it as a unique candidate for fundamental materials research.
Key Properties
Cross-validated computational properties for FeMoP, aggregated across 6 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 FeMoP, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 0.00 | 0.0000 | -8.834 | 8.51 |
| P21/m (No. 11) | — | — | — | — | — |
| — | — | — | — | — | 7.89 |
| Pnma (No. 62) | — | — | — | — | — |
| — | — | — | — | — | — |
| P1 (No. 1) | Triclinic | — | — | — | 4.69 |
| P1 (No. 1) | Triclinic | — | — | — | 6.83 |
| P1 (No. 1) | Triclinic | — | — | — | 5.59 |
| — | — | — | — | — | — |
Synthesis Routes
Literature-extracted synthesis procedures targeting FeMoP.
Applications
Where FeMoP is used.
Frequently Asked Questions
Common questions about FeMoP, answered from cross-validated data.
What is FeMoP?
FeMoP is a thermodynamically stable metallic ternary phosphide used in materials science research.
What is FeMoP used for?
What is the band gap of FeMoP?
Is FeMoP a metal, semiconductor, or insulator?
Is FeMoP thermodynamically stable?
What is the crystal structure of FeMoP?
What is the density of FeMoP?
How many polymorphs of FeMoP are known?
How is FeMoP synthesized?
What elements does FeMoP contain?
Where does the data for FeMoP come from?
How It Compares
Within the skutterudite thermoelectrics class.
Unlike the more common binary phosphides such as FeP or NiP, FeMoP incorporates molybdenum to achieve a stable ternary structure. While compounds like FeP2 and CoP2 are frequently explored for their specific semiconductor characteristics, FeMoP stands out due to its metallic electronic character and its distinct position on the thermodynamic stability landscape.
Related Compounds
Other Skutterudite Thermoelectrics in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- nomad — Data from NOMAD. Cite: Draxl & Scheffler, J. Phys. Mater. 2, 036001 (2019).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- alexandria — Data from alexandria.
- mpaloe — Data from mpaloe.
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