Fe2PO4F
Tavorite · Iron fluorophosphate
Tavorite is a mineral-based compound that belongs to the phosphate family. It is primarily researched as a potential cathode material for high-performance rechargeable batteries due to its stable crystal structure and ability to facilitate ion transport.
Key Properties
Cross-validated computational properties for Tavorite, 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 Fe2PO4F, 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 | 0.29 | 0.0000 | -7.873 | 3.92 |
| No. 0 | unknown | — | — | — | 0.51 |
| C2/c (No. 15) | — | — | — | — | — |
Applications
Where Tavorite is used.
Frequently Asked Questions
Common questions about Tavorite, answered from cross-validated data.
What is Fe2PO4F?
Tavorite is a mineral-based compound that belongs to the phosphate family. It is primarily researched as a potential cathode material for high-performance rechargeable batteries due to its stable crystal structure and ability to facilitate ion transport.
What is Fe2PO4F used for?
What is the band gap of Fe2PO4F?
Is Fe2PO4F a metal, semiconductor, or insulator?
Is Fe2PO4F thermodynamically stable?
What is the crystal structure of Fe2PO4F?
What is the density of Fe2PO4F?
How many polymorphs of Fe2PO4F are known?
What elements does Fe2PO4F contain?
Where does the data for Fe2PO4F come from?
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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