SbOF
Antimony oxyfluoride is an inorganic compound that combines antimony with oxygen and fluorine. It is primarily utilized in specialized chemical research and as a precursor in the synthesis of advanced materials.
FOSb
Overview
Key Properties
Cross-validated computational properties for SbOF, 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.
1.86–3.66 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)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
46
3 databases, 9 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for SbOF, 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. |
|---|---|---|---|---|---|
| Pbca (No. 61) | orthorhombic | 3.32 | 0.0000 | -5.864 | 5.26 |
| Pnma (No. 62) | orthorhombic | 3.31 | 0.0004 | -5.864 | 5.25 |
| P21/c (No. 14) | monoclinic | 3.59 | 0.0221 | -5.842 | 4.54 |
| P21/c (No. 14) | monoclinic | 2.95 | 0.0571 | -5.807 | 5.14 |
| P-421c (No. 114) | tetragonal | 3.66 | 0.0658 | -5.798 | 4.35 |
| Pbca (No. 61) | orthorhombic | 3.23 | 0.0689 | -5.795 | 4.47 |
| Pna21 (No. 33) | orthorhombic | 3.35 | 0.0714 | -5.793 | 4.30 |
| Pnma (No. 62) | orthorhombic | 2.76 | 0.0834 | -5.781 | 5.33 |
| Pnma (No. 62) | orthorhombic | 2.96 | 0.0981 | -5.766 | 5.38 |
| P4/nmm (No. 129) | tetragonal | 1.86 | 0.1917 | -5.672 | 5.97 |
| P4/nmm (No. 129) | Tetragonal | — | — | — | 6.15 |
| P-421c (No. 114) | Tetragonal | — | — | — | 4.45 |
Uses
Applications
Where SbOF is used.
Chemical researchMaterials science synthesisFluorination processes
Reference
Frequently Asked Questions
Common questions about SbOF, answered from cross-validated data.
What is SbOF?
Antimony oxyfluoride is an inorganic compound that combines antimony with oxygen and fluorine. It is primarily utilized in specialized chemical research and as a precursor in the synthesis of advanced materials.
More questions
What is SbOF used for?
SbOF is used in chemical research, materials science synthesis, and fluorination processes.
What is the band gap of SbOF?
SbOF has a DFT-computed band gap of 1.86–3.66 eV across 46 reported structures.
Is SbOF a metal, semiconductor, or insulator?
With a wide band gap up to 3.66 eV it is an insulator / wide-band-gap material.
Is SbOF thermodynamically stable?
Yes — SbOF sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of SbOF?
The lowest-energy reported polymorph of SbOF is orthorhombic symmetry, space group Pbca (No. 61).
What is the density of SbOF?
The computed density of the ground-state structure of SbOF is 5.26 g/cm³.
How many polymorphs of SbOF are known?
46 structures of SbOF are reported across 3 databases, spanning 9 distinct space groups.
What elements does SbOF contain?
SbOF contains F, O, and Sb (3 elements).
Where does the data for SbOF come from?
SbOF data is cross-referenced from materials_project, mpaloe, jarvis.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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