HoOF
Holmium oxyfluoride
Holmium oxyfluoride is an inorganic compound consisting of holmium, oxygen, and fluorine. It is primarily utilized in specialized research settings and as a precursor for the synthesis of advanced optical materials.
FHoO
Overview
Key Properties
Cross-validated computational properties for HoOF, 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.
5.09 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.
5
3 databases, 3 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for HoOF, 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. |
|---|---|---|---|---|---|
| R-3m (No. 166) | trigonal | 5.09 | 0.0000 | -8.095 | 8.63 |
| R-3m (No. 166) | — | — | — | — | — |
| P21 (No. 4) | Monoclinic | — | — | — | 7.80 |
| P21 (No. 4) | Monoclinic | — | — | — | 8.36 |
| P1 (No. 1) | Triclinic | — | — | — | 7.41 |
Uses
Applications
Where HoOF is used.
Optical materials researchChemical synthesis precursorMaterials science studies
Reference
Frequently Asked Questions
Common questions about HoOF, answered from cross-validated data.
What is HoOF?
Holmium oxyfluoride is an inorganic compound consisting of holmium, oxygen, and fluorine. It is primarily utilized in specialized research settings and as a precursor for the synthesis of advanced optical materials.
More questions
What is HoOF used for?
HoOF is used in optical materials research, chemical synthesis precursor, and materials science studies.
What is the band gap of HoOF?
HoOF has a DFT-computed band gap of 5.09 eV across 5 reported structures.
Is HoOF a metal, semiconductor, or insulator?
With a wide band gap up to 5.09 eV it is an insulator / wide-band-gap material.
Is HoOF thermodynamically stable?
Yes — HoOF sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of HoOF?
The lowest-energy reported polymorph of HoOF is trigonal symmetry, space group R-3m (No. 166).
What is the density of HoOF?
The computed density of the ground-state structure of HoOF is 8.63 g/cm³.
How many polymorphs of HoOF are known?
5 structures of HoOF are reported across 3 databases, spanning 3 distinct space groups.
What elements does HoOF contain?
HoOF contains F, Ho, and O (3 elements).
Where does the data for HoOF come from?
HoOF data is cross-referenced from materials_project, jarvis, mpaloe.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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