CdF2
Cadmium fluoride
Cadmium fluoride is a stable, semiconducting inorganic compound used primarily in optical and electronic applications.
About Cadmium fluoride
Cadmium fluoride is a thermodynamically stable compound that exhibits interesting semiconducting properties. Its structural integrity and electronic behavior make it a subject of significant interest within materials science research, particularly for applications requiring specific optical or electrical responses.
Due to its robust nature and well-documented structural characteristics, this material is frequently utilized in the development of advanced optical components. It serves as a critical building block in specialized glass manufacturing and as a precursor for various fluoride-based electronic materials.
Key Properties
Cross-validated computational properties for Cadmium fluoride, aggregated across 5 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.
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.
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.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of CdF2. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for CdF2, 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. |
|---|---|---|---|---|---|
| — | — | 3.31 | 0.0000 | -2.461 | — |
| Fm-3m (No. 225) | cubic | 3.06 | 0.0000 | -2.309 | — |
| Fm-3m (No. 225) | cubic | 2.90 | 0.0000 | -4.063 | 6.34 |
| — | — | 3.31 | 0.0057 | -2.456 | — |
| — | — | 3.30 | 0.0074 | -2.454 | — |
| — | — | 3.27 | 0.0080 | -2.453 | — |
| Pnma (No. 62) | orthorhombic | 2.83 | 0.0119 | -2.297 | — |
| Pnma (No. 62) | orthorhombic | 2.83 | 0.0120 | -2.297 | — |
| — | — | 3.52 | 0.0172 | -2.444 | — |
| — | — | 2.51 | 0.0187 | -1.487 | — |
| — | — | 3.32 | 0.0264 | -2.435 | — |
| Pnma (No. 62) | orthorhombic | 2.74 | 0.0292 | -4.033 | 6.91 |
Applications
Where Cadmium fluoride is used.
Frequently Asked Questions
Common questions about Cadmium fluoride, answered from cross-validated data.
What is CdF2?
Cadmium fluoride is a stable, semiconducting inorganic compound used primarily in optical and electronic applications.
What is CdF2 used for?
What is the band gap of CdF2?
Is CdF2 a metal, semiconductor, or insulator?
Is CdF2 thermodynamically stable?
What is the crystal structure of CdF2?
How many polymorphs of CdF2 are known?
What elements does CdF2 contain?
Where does the data for CdF2 come from?
How It Compares
As a distinct inorganic fluoride, this compound occupies a unique niche in material science, serving as a primary reference point for studying the electronic behavior of cadmium-based halides. Its stability and well-defined structural profile allow it to function as a foundational material for exploring semiconducting properties in fluoride systems.
Data sources & attribution
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
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