SrF2
Strontium fluoride · Strontium difluoride
Strontium fluoride is a stable, brittle inorganic compound that appears as a white crystalline solid. It is primarily utilized in optical applications due to its transparency across a wide range of light wavelengths.
FSr
Overview
Key Properties
Cross-validated computational properties for Strontium fluoride, 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.
5.94–7.01 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.
89
3 databases, 19 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for SrF2, 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. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 6.77 | 0.0000 | -11.341 | 4.28 |
| Pnma (No. 62) | orthorhombic | 7.01 | 0.0267 | -11.315 | 4.73 |
| Pnma (No. 62) | orthorhombic | 6.34 | 0.0646 | -11.277 | 3.78 |
| P63/mmc (No. 194) | hexagonal | 5.94 | 0.1710 | -11.170 | 4.76 |
| Pm (No. 6) | Monoclinic | — | — | — | 1.67 |
| Fm-3m (No. 225) | Cubic | — | — | — | 4.29 |
| Ibam (No. 72) | Orthorhombic | — | — | — | 1.46 |
| Ibam (No. 72) | Orthorhombic | — | — | — | 1.69 |
| Ibam (No. 72) | Orthorhombic | — | — | — | 2.85 |
| C2/c (No. 15) | Monoclinic | — | — | — | 1.76 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.04 |
| P-1 (No. 2) | Triclinic | — | — | — | 3.47 |
Uses
Applications
Where Strontium fluoride is used.
Optical coatingsLaser materialsOptical windowsScintillation detectors
Reference
Frequently Asked Questions
Common questions about Strontium fluoride, answered from cross-validated data.
What is SrF2?
Strontium fluoride is a stable, brittle inorganic compound that appears as a white crystalline solid. It is primarily utilized in optical applications due to its transparency across a wide range of light wavelengths.
More questions
What is SrF2 used for?
Strontium fluoride (SrF2) is used in optical coatings, laser materials, optical windows, and scintillation detectors.
What is the band gap of SrF2?
Strontium fluoride (SrF2) has a DFT-computed band gap of 5.94–7.01 eV across 89 reported structures.
Is SrF2 a metal, semiconductor, or insulator?
With a wide band gap up to 7.01 eV it is an insulator / wide-band-gap material.
Is SrF2 thermodynamically stable?
Yes — Strontium fluoride (SrF2) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of SrF2?
The lowest-energy reported polymorph of Strontium fluoride (SrF2) is cubic symmetry, space group Fm-3m (No. 225).
What is the density of SrF2?
The computed density of the ground-state structure of Strontium fluoride (SrF2) is 4.28 g/cm³.
How many polymorphs of SrF2 are known?
89 structures of SrF2 are reported across 3 databases, spanning 19 distinct space groups.
What elements does SrF2 contain?
Strontium fluoride (SrF2) contains F and Sr (2 elements).
Where does the data for SrF2 come from?
SrF2 data is cross-referenced from materials_project, mpaloe.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
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