GeBr2
GeBr2 is a stable, semiconducting inorganic compound consisting of germanium and bromine atoms.
About GeBr2
GeBr2 is a semiconducting inorganic compound composed of germanium and bromine. As a thermodynamically stable phase located on the convex hull, it represents a well-defined structural arrangement within the germanium-halide system.
With extensive documentation across multiple materials databases, this compound serves as a significant subject for researchers studying the electronic and structural behavior of metal halides. Its stability makes it a reliable reference point for understanding bonding trends in similar semiconducting halide frameworks.
Key Properties
Cross-validated computational properties for GeBr2, 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 GeBr2. 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 GeBr2, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 2.60 | 0.0000 | -3.560 | 3.64 |
| — | — | 2.42 | 0.0000 | -0.794 | — |
| R-3m (No. 166) | trigonal | 2.29 | 0.0000 | -0.608 | — |
| — | — | 2.45 | 0.0002 | -0.794 | — |
| — | — | 2.29 | 0.0042 | -0.790 | — |
| C2/c (No. 15) | monoclinic | 2.82 | 0.0110 | -14.037 | 3.88 |
| P42/mnm (No. 136) | tetragonal | 1.53 | 0.0157 | -0.592 | — |
| — | — | 2.57 | 0.0220 | -0.772 | — |
| — | — | 2.75 | 0.0235 | -0.771 | — |
| — | — | 2.46 | 0.0319 | -0.762 | — |
| P42/mnm (No. 136) | tetragonal | 1.43 | 0.0327 | -3.528 | 4.22 |
| — | — | 1.65 | 0.0415 | -0.753 | — |
Applications
Where GeBr2 is used.
Frequently Asked Questions
Common questions about GeBr2, answered from cross-validated data.
What is GeBr2?
GeBr2 is a stable, semiconducting inorganic compound consisting of germanium and bromine atoms.
What is GeBr2 used for?
What is the band gap of GeBr2?
Is GeBr2 a metal, semiconductor, or insulator?
Is GeBr2 thermodynamically stable?
What is the crystal structure of GeBr2?
What is the density of GeBr2?
How many polymorphs of GeBr2 are known?
What elements does GeBr2 contain?
Where does the data for GeBr2 come from?
How It Compares
As a distinct member of the germanium-halide family, GeBr2 provides a foundational example of a stable, semiconducting binary halide. It serves as a critical benchmark for evaluating the structural diversity and electronic characteristics inherent to this class of materials.
Data sources & attribution
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- 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)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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