GeF2
germanium difluoride · germanium(II) fluoride
Germanium difluoride is an insulating binary fluoride compound that is theoretically stable and frequently studied for its structural properties.
About germanium difluoride
Germanium difluoride is a distinct inorganic fluoride characterized by its wide-gap insulating electronic profile. As a material that sits near the thermodynamic hull, it is considered a viable candidate for experimental synthesis and structural investigation.
With over a hundred reported structures documented across major databases, this compound serves as a significant subject for researchers studying the coordination chemistry of germanium. Its stability and electronic properties make it a noteworthy entry in the landscape of binary metal halides.
Key Properties
Cross-validated computational properties for germanium difluoride, 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.
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 GeF2. 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 GeF2, 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. |
|---|---|---|---|---|---|
| P212121 (No. 19) | orthorhombic | 4.30 | 0.0000 | -2.209 | — |
| — | — | 4.13 | 0.0000 | -2.321 | — |
| P212121 (No. 19) | orthorhombic | 3.99 | 0.0000 | -5.207 | 3.88 |
| Pnma (No. 62) | orthorhombic | 4.14 | 0.0080 | -5.199 | 3.88 |
| — | — | 4.30 | 0.0083 | -2.313 | — |
| — | — | 2.72 | 0.1046 | -2.217 | — |
| P1 (No. 1) | triclinic | 3.89 | 0.1249 | -2.084 | — |
| — | — | 3.48 | 0.1417 | -2.180 | — |
| — | — | 3.99 | 0.1425 | -2.179 | — |
| — | — | 3.77 | 0.1545 | -2.167 | — |
| — | — | 1.95 | 0.2259 | -2.095 | — |
| Pmmm (No. 47) | orthorhombic | 0.16 | 0.3329 | -1.877 | — |
Applications
Where germanium difluoride is used.
Frequently Asked Questions
Common questions about germanium difluoride, answered from cross-validated data.
What is GeF2?
Germanium difluoride is an insulating binary fluoride compound that is theoretically stable and frequently studied for its structural properties.
What is GeF2 used for?
What is the band gap of GeF2?
Is GeF2 a metal, semiconductor, or insulator?
Is GeF2 thermodynamically stable?
What is the crystal structure of GeF2?
How many polymorphs of GeF2 are known?
What elements does GeF2 contain?
Where does the data for GeF2 come from?
How It Compares
As a binary fluoride of germanium, this compound represents a specialized niche in inorganic chemistry, serving as a fundamental reference point for understanding the structural diversity and bonding behavior of divalent germanium halides.
Data sources & attribution
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- 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)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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