FePH3CO7
FePH3CO7 is a metastable semiconducting transition-metal phosphate used in materials science research.
About FePH3CO7
FePH3CO7 is a complex transition-metal phosphate that exhibits semiconducting electronic behavior. As a metastable phase, it represents a unique structural arrangement within the broader family of iron-based phosphorus-oxygen compounds, offering distinct pathways for chemical synthesis and material exploration.
This compound is of significant interest to researchers studying the interplay between transition metals and phosphate frameworks. Its specific stoichiometry and electronic nature make it a subject of investigation for those seeking to understand the stability and functional potential of complex metal phosphates in various solid-state applications.
Key Properties
Cross-validated computational properties for FePH3CO7, 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 FePH3CO7, 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-1 (No. 2) | triclinic | 2.66 | 0.0596 | -7.025 | 2.53 |
| No. 0 | unknown | — | — | — | 1.31 |
| P-1 (No. 2) | — | — | — | — | — |
Applications
Where FePH3CO7 is used.
Frequently Asked Questions
Common questions about FePH3CO7, answered from cross-validated data.
What is FePH3CO7?
FePH3CO7 is a metastable semiconducting transition-metal phosphate used in materials science research.
What is FePH3CO7 used for?
What is the band gap of FePH3CO7?
Is FePH3CO7 a metal, semiconductor, or insulator?
Is FePH3CO7 thermodynamically stable?
What is the crystal structure of FePH3CO7?
What is the density of FePH3CO7?
How many polymorphs of FePH3CO7 are known?
What elements does FePH3CO7 contain?
Where does the data for FePH3CO7 come from?
How It Compares
Within the transition-metal phosphates class.
Unlike the highly stable and widely utilized battery cathode materials such as LiFePO4 and LiMnPO4, FePH3CO7 exists in a metastable state. While siblings like LiFeP2O7 and TiP2O7 are frequently studied for their robust electrochemical performance and structural integrity, FePH3CO7 occupies a more niche position in the transition-metal phosphate class, serving as a focal point for fundamental studies into metastable phase formation.
Related Compounds
Other Transition-Metal Phosphates in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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