Gd2Br3
Gd2Br3 is a semiconducting gadolinium bromide compound that is considered a viable candidate for laboratory synthesis.
About Gd2Br3
Gd2Br3 is a semiconducting binary halide composed of gadolinium and bromine. Its electronic properties and structural configuration place it in a niche category of rare-earth halides that are of interest for fundamental solid-state chemistry studies.
Because it is identified as a near-hull material, it is considered a promising target for experimental synthesis. Its existence within structural databases highlights its potential for researchers exploring the complex phase space of metal-rich halide systems.
Key Properties
Cross-validated computational properties for Gd2Br3, 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.
Reported Structures
Lowest-energy structures reported for Gd2Br3, 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. |
|---|---|---|---|---|---|
| C2/m (No. 12) | monoclinic | 0.23 | 0.0080 | -8.459 | 5.81 |
| No. 0 | unknown | — | — | — | 1.50 |
| C2/m (No. 12) | Monoclinic | — | — | — | 6.01 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.81 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.97 |
Applications
Where Gd2Br3 is used.
Frequently Asked Questions
Common questions about Gd2Br3, answered from cross-validated data.
What is Gd2Br3?
Gd2Br3 is a semiconducting gadolinium bromide compound that is considered a viable candidate for laboratory synthesis.
What is Gd2Br3 used for?
What is the band gap of Gd2Br3?
Is Gd2Br3 a metal, semiconductor, or insulator?
Is Gd2Br3 thermodynamically stable?
What is the crystal structure of Gd2Br3?
What is the density of Gd2Br3?
How many polymorphs of Gd2Br3 are known?
What elements does Gd2Br3 contain?
Where does the data for Gd2Br3 come from?
How It Compares
As a distinct gadolinium-based halide, Gd2Br3 occupies a specific role in materials science as a rare-earth semiconductor. Without direct structural siblings in this specific dataset, it serves as a primary example of how metal-rich halides can maintain thermodynamic stability while exhibiting semiconducting behavior.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- mpaloe — Data from mpaloe.
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