YbBr2
YbBr2 is an insulating ytterbium bromide compound that is currently recognized as thermodynamically unstable.
About YbBr2
YbBr2 is an inorganic halide compound featuring ytterbium in a lower oxidation state. As a wide-gap insulator, it exhibits distinct electronic properties that differentiate it from more common ytterbium halides.
While it has been the subject of significant structural investigation with multiple reported phases, it is currently characterized as being thermodynamically unstable relative to its decomposition products. This status highlights the complex synthesis conditions required to stabilize such ytterbium-based halide systems.
Key Properties
Cross-validated computational properties for YbBr2, 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 YbBr2, 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. |
|---|---|---|---|---|---|
| Pbcn (No. 60) | orthorhombic | 4.47 | 0.2354 | -22.688 | 6.30 |
| Pnnm (No. 58) | orthorhombic | 4.50 | 0.2465 | -22.677 | 6.34 |
| P42/mnm (No. 136) | tetragonal | 4.32 | 0.2517 | -22.672 | 6.14 |
| Pnnm (No. 58) | — | — | — | — | — |
| Pbcn (No. 60) | — | — | — | — | — |
| P-1 (No. 2) | Triclinic | — | — | — | 8.38 |
| C2/m (No. 12) | Monoclinic | — | — | — | 6.82 |
| C2/m (No. 12) | Monoclinic | — | — | — | 6.96 |
Frequently Asked Questions
Common questions about YbBr2, answered from cross-validated data.
What is YbBr2?
YbBr2 is an insulating ytterbium bromide compound that is currently recognized as thermodynamically unstable.
What is the band gap of YbBr2?
Is YbBr2 a metal, semiconductor, or insulator?
Is YbBr2 thermodynamically stable?
What is the crystal structure of YbBr2?
What is the density of YbBr2?
How many polymorphs of YbBr2 are known?
What elements does YbBr2 contain?
Where does the data for YbBr2 come from?
How It Compares
As a unique halide system, YbBr2 occupies a specialized niche in inorganic chemistry. Unlike more stable, commonly utilized halides, this compound represents a challenging synthetic target that serves as a focal point for researchers exploring the limits of ytterbium coordination and phase stability.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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