Fe3P
triiron phosphide · schreibersite
Triiron phosphide is a metallic phosphide compound that occurs naturally as a mineral component in iron meteorites. It is studied for its role in planetary science and its potential influence on the chemical evolution of early planetary bodies.
Key Properties
Cross-validated computational properties for triiron 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.
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 Fe3P, 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. |
|---|---|---|---|---|---|
| I-4 (No. 82) | tetragonal | 0.00 | 0.0000 | -8.061 | 7.26 |
| P21 (No. 4) | Monoclinic | — | — | — | 3.30 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 4.38 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 4.17 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 2.81 |
| Cm (No. 8) | Monoclinic | — | — | — | 7.18 |
| Cm (No. 8) | Monoclinic | — | — | — | 5.95 |
| I-4 (No. 82) | Tetragonal | — | — | — | 7.22 |
| I-4 (No. 82) | Tetragonal | — | — | — | 7.35 |
| I-4 (No. 82) | Tetragonal | — | — | — | 7.20 |
| R3m (No. 160) | Trigonal | — | — | — | 6.39 |
| P21/m (No. 11) | Monoclinic | — | — | — | 3.87 |
Synthesis Routes
Literature-extracted synthesis procedures targeting Fe3P.
Applications
Where triiron phosphide is used.
Frequently Asked Questions
Common questions about triiron phosphide, answered from cross-validated data.
What is Fe3P?
Triiron phosphide is a metallic phosphide compound that occurs naturally as a mineral component in iron meteorites. It is studied for its role in planetary science and its potential influence on the chemical evolution of early planetary bodies.
What is Fe3P used for?
What is the band gap of Fe3P?
Is Fe3P a metal, semiconductor, or insulator?
Is Fe3P thermodynamically stable?
What is the crystal structure of Fe3P?
What is the density of Fe3P?
How many polymorphs of Fe3P are known?
How is Fe3P synthesized?
What elements does Fe3P contain?
Where does the data for Fe3P come from?
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.
- 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).
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