AuBr2
AuBr2 is a metallic, metastable gold-bromine compound known for its structural diversity in solid-state chemistry research.
About AuBr2
AuBr2 is a gold-based binary compound characterized by its metallic electronic nature. Despite its lack of a band gap, it represents an intriguing subject for solid-state research due to the diverse structural configurations reported across multiple databases. Its existence as a metallic phase highlights the complex bonding interactions possible between gold and bromine. The compound is noted for being thermodynamically metastable, residing above the convex hull. This status suggests that while it can be synthesized or observed under specific conditions, it remains a challenging material to stabilize compared to more robust gold halides.
Key Properties
Cross-validated computational properties for AuBr2, aggregated across 4 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 AuBr2, 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. |
|---|---|---|---|---|---|
| P42/mmc (No. 131) | tetragonal | 0.00 | 0.1679 | -2.520 | 5.05 |
| — | — | — | — | — | 6.90 |
| P1 (No. 1) | Triclinic | — | — | — | 4.32 |
| P1 (No. 1) | Triclinic | — | — | — | 10.16 |
| P1 (No. 1) | Triclinic | — | — | — | 5.57 |
| P1 (No. 1) | Triclinic | — | — | — | 10.59 |
| Imm2 (No. 44) | Orthorhombic | — | — | — | 5.64 |
| P1 (No. 1) | Triclinic | — | — | — | 7.58 |
| Imm2 (No. 44) | Orthorhombic | — | — | — | 8.18 |
| Imm2 (No. 44) | Orthorhombic | — | — | — | 5.46 |
| Cm (No. 8) | Monoclinic | — | — | — | 6.10 |
| P42/mmc (No. 131) | Tetragonal | — | — | — | 5.20 |
Frequently Asked Questions
Common questions about AuBr2, answered from cross-validated data.
What is AuBr2?
AuBr2 is a metallic, metastable gold-bromine compound known for its structural diversity in solid-state chemistry research.
What is the band gap of AuBr2?
Is AuBr2 a metal, semiconductor, or insulator?
Is AuBr2 thermodynamically stable?
What is the crystal structure of AuBr2?
What is the density of AuBr2?
How many polymorphs of AuBr2 are known?
What elements does AuBr2 contain?
Where does the data for AuBr2 come from?
How It Compares
As a metallic gold-bromine phase, AuBr2 occupies a distinct position within the broader landscape of gold halides, which are typically insulators or semiconductors. Its metallic character and metastable nature distinguish it from more conventional, stable gold-halogen compounds, marking it as a unique entry in the study of noble metal chemistry.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- mpaloe — Data from mpaloe.
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