GeClF
GeClF is a semiconducting germanium chlorofluoride compound that exists in a metastable state.
About GeClF
GeClF is a complex germanium-based halide compound that exhibits semiconducting electronic characteristics. Due to its position above the thermodynamic hull, it is considered a metastable phase that requires specific synthetic conditions to stabilize.
This material is of interest to researchers investigating the fundamental chemistry of germanium halides. Its existence across multiple structural databases highlights its role as a subject of ongoing theoretical and experimental study in materials science.
Key Properties
Cross-validated computational properties for GeClF, 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 GeClF. 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 GeClF, 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. |
|---|---|---|---|---|---|
| P4/nmm (No. 129) | tetragonal | 2.77 | 0.0015 | -1.470 | — |
| — | — | 3.52 | 0.0219 | -1.655 | — |
| P4/nmm (No. 129) | tetragonal | 2.79 | 0.0233 | -1.449 | — |
| — | — | 2.74 | 0.1205 | -1.557 | — |
| P4/nmm (No. 129) | tetragonal | 2.52 | 0.3418 | -4.240 | 4.09 |
| Pmm2 (No. 25) | orthorhombic | — | — | — | 2.64 |
| Pmma (No. 51) | orthorhombic | — | — | — | 3.77 |
| Pmma (No. 51) | orthorhombic | — | — | — | 5.55 |
Applications
Where GeClF is used.
Frequently Asked Questions
Common questions about GeClF, answered from cross-validated data.
What is GeClF?
GeClF is a semiconducting germanium chlorofluoride compound that exists in a metastable state.
What is GeClF used for?
What is the band gap of GeClF?
Is GeClF a metal, semiconductor, or insulator?
Is GeClF thermodynamically stable?
What is the crystal structure of GeClF?
How many polymorphs of GeClF are known?
What elements does GeClF contain?
Where does the data for GeClF come from?
How It Compares
As a unique germanium chlorofluoride, GeClF represents a specialized niche in halide chemistry. Without direct structural siblings in this specific class, it serves as an important case study for understanding how the integration of fluorine and chlorine influences the electronic behavior of germanium-based semiconductors.
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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