YBr3
Yttrium(III) bromide · Yttrium tribromide
Yttrium(III) bromide is an inorganic compound composed of yttrium and bromine. It is primarily utilized as a chemical intermediate in the synthesis of other yttrium-containing compounds and as a precursor for materials science research.
Key Properties
Cross-validated computational properties for Yttrium(III) bromide, 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 YBr3, 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 | 3.98 | 0.0000 | -5.160 | 3.73 |
| P63/mmc (No. 194) | hexagonal | 2.95 | 0.0870 | -5.073 | 3.37 |
| Pbam (No. 55) | Orthorhombic | — | — | — | 3.23 |
| C2 (No. 5) | Monoclinic | — | — | — | 4.25 |
| P63/mmc (No. 194) | — | — | — | — | — |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.57 |
| Cmc21 (No. 36) | Orthorhombic | — | — | — | 6.76 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.48 |
| Pbam (No. 55) | Orthorhombic | — | — | — | 3.21 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.54 |
| C2/m (No. 12) | Monoclinic | — | — | — | 5.15 |
| Cmc21 (No. 36) | Orthorhombic | — | — | — | 4.16 |
Applications
Where Yttrium(III) bromide is used.
Frequently Asked Questions
Common questions about Yttrium(III) bromide, answered from cross-validated data.
What is YBr3?
Yttrium(III) bromide is an inorganic compound composed of yttrium and bromine. It is primarily utilized as a chemical intermediate in the synthesis of other yttrium-containing compounds and as a precursor for materials science research.
What is YBr3 used for?
What is the band gap of YBr3?
Is YBr3 a metal, semiconductor, or insulator?
Is YBr3 thermodynamically stable?
What is the crystal structure of YBr3?
What is the density of YBr3?
How many polymorphs of YBr3 are known?
What elements does YBr3 contain?
Where does the data for YBr3 come from?
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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