F2La6Mo8O32
This complex inorganic compound is a member of the lanthanum molybdenum oxyfluoride family. It is primarily studied in materials science research for its unique structural properties and potential electronic characteristics.
FLaMoO
Overview
Key Properties
Cross-validated computational properties for F2La6Mo8O32, 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.
3.61 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.
0.005 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.
Near hull (likely stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
5
3 databases, 1 space group
Crystallography
Reported Structures
Lowest-energy structures reported for F2La6Mo8O32, 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 | 3.61 | 0.0046 | -8.555 | 4.67 |
| P-1 (No. 2) | triclinic | 0.00 | 1.6147 | -6.945 | 4.67 |
| — | — | — | — | — | 4.63 |
| — | — | — | — | — | 4.63 |
| P-1 (No. 2) | — | — | — | — | — |
Uses
Applications
Where F2La6Mo8O32 is used.
Solid-state chemistry researchMaterials science characterizationExploratory crystal structure analysis
Reference
Frequently Asked Questions
Common questions about F2La6Mo8O32, answered from cross-validated data.
What is F2La6Mo8O32?
This complex inorganic compound is a member of the lanthanum molybdenum oxyfluoride family. It is primarily studied in materials science research for its unique structural properties and potential electronic characteristics.
More questions
What is F2La6Mo8O32 used for?
F2La6Mo8O32 is used in solid-state chemistry research, materials science characterization, and exploratory crystal structure analysis.
What is the band gap of F2La6Mo8O32?
F2La6Mo8O32 has a DFT-computed band gap of 3.61 eV across 5 reported structures.
Is F2La6Mo8O32 a metal, semiconductor, or insulator?
With a wide band gap up to 3.61 eV it is an insulator / wide-band-gap material.
Is F2La6Mo8O32 thermodynamically stable?
F2La6Mo8O32 has a lowest energy above hull of 0.005 eV/atom (near hull (likely stable)).
What is the crystal structure of F2La6Mo8O32?
The lowest-energy reported polymorph of F2La6Mo8O32 is triclinic symmetry, space group P-1 (No. 2).
What is the density of F2La6Mo8O32?
The computed density of the ground-state structure of F2La6Mo8O32 is 4.67 g/cm³.
How many polymorphs of F2La6Mo8O32 are known?
5 structures of F2La6Mo8O32 are reported across 3 databases, spanning 1 distinct space group.
What elements does F2La6Mo8O32 contain?
F2La6Mo8O32 contains F, La, Mo, and O (4 elements).
Where does the data for F2La6Mo8O32 come from?
F2La6Mo8O32 data is cross-referenced from materials_project, omat24, aflow.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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