F2Li2O8P2V2
F2Li2O8P2V2 has a DFT band gap of 1.62–1.97 eV across 4 reported structures in 3 space groups; its lowest-energy polymorph is triclinic (P-1 (No. 2)). Cross-validated across 2 computational databases.
At a glance
Key Properties
Cross-validated computational properties for F2Li2O8P2V2, aggregated across 2 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.
1.62–1.97 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
4
2 databases, 3 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for F2Li2O8P2V2, 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 | 1.62 | 0.0000 | -7.602 | 3.10 |
| Pc (No. 7) | monoclinic | 1.97 | 0.0419 | -7.560 | 2.58 |
| P1 (No. 1) | triclinic | 1.68 | 0.0613 | -7.541 | 3.04 |
| P-1 (No. 2) | — | — | — | — | — |
Reference
Frequently Asked Questions
Common questions about F2Li2O8P2V2, answered from cross-validated data.
What is the band gap of F2Li2O8P2V2?
F2Li2O8P2V2 has a DFT-computed band gap of 1.62–1.97 eV across 4 reported structures.
More questions
Is F2Li2O8P2V2 a metal, semiconductor, or insulator?
With a band gap up to 1.97 eV it is a semiconductor.
Is F2Li2O8P2V2 thermodynamically stable?
Yes — F2Li2O8P2V2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of F2Li2O8P2V2?
The lowest-energy reported polymorph of F2Li2O8P2V2 is triclinic symmetry, space group P-1 (No. 2).
What is the density of F2Li2O8P2V2?
The computed density of the ground-state structure of F2Li2O8P2V2 is 3.10 g/cm³.
How many polymorphs of F2Li2O8P2V2 are known?
4 structures of F2Li2O8P2V2 are reported across 2 databases, spanning 3 distinct space groups.
What elements does F2Li2O8P2V2 contain?
F2Li2O8P2V2 contains F, Li, O, P, and V (5 elements).
Where does the data for F2Li2O8P2V2 come from?
F2Li2O8P2V2 data is cross-referenced from materials_project, aflow.
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Related Compounds
Other Vanadium Phosphate Cathodes in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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