Br2Gd2O2
Gadolinium oxybromide is a crystalline inorganic compound that belongs to the class of rare-earth oxyhalides. It is primarily utilized in specialized optical and electronic research, particularly as a host material for phosphors and scintillators.
Key Properties
Cross-validated computational properties for Br2Gd2O2, 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 Br2Gd2O2, 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. |
|---|---|---|---|---|---|
| P4/nmm (No. 129) | tetragonal | 0.08 | 0.0000 | -10.199 | 6.53 |
| — | — | — | — | — | 5.96 |
| — | — | — | — | — | 5.96 |
| — | — | — | — | — | 5.96 |
| P4/nmm (No. 129) | — | — | — | — | — |
Applications
Where Br2Gd2O2 is used.
Frequently Asked Questions
Common questions about Br2Gd2O2, answered from cross-validated data.
What is Br2Gd2O2?
Gadolinium oxybromide is a crystalline inorganic compound that belongs to the class of rare-earth oxyhalides. It is primarily utilized in specialized optical and electronic research, particularly as a host material for phosphors and scintillators.
What is Br2Gd2O2 used for?
What is the band gap of Br2Gd2O2?
Is Br2Gd2O2 a metal, semiconductor, or insulator?
Is Br2Gd2O2 thermodynamically stable?
What is the crystal structure of Br2Gd2O2?
What is the density of Br2Gd2O2?
How many polymorphs of Br2Gd2O2 are known?
What elements does Br2Gd2O2 contain?
Where does the data for Br2Gd2O2 come from?
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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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