B2Gd2O6
Gadolinium borate · GdBO3
Gadolinium borate is a crystalline inorganic compound often utilized for its optical and luminescent properties. It serves as a host material for various dopants in the development of advanced lighting and display technologies.
BGdO
Overview
Key Properties
Cross-validated computational properties for Gadolinium borate, 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.
0.17–3.10 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
11
4 databases, 5 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for B2Gd2O6, 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/c (No. 15) | monoclinic | 3.10 | 0.0000 | -10.619 | 6.33 |
| Ama2 (No. 40) | orthorhombic | 0.17 | 0.0854 | -10.534 | 5.84 |
| P63/mmc (No. 194) | hexagonal | 2.27 | 0.1435 | -10.475 | 4.56 |
| R32 (No. 155) | trigonal | 2.09 | 0.2194 | -10.399 | 6.20 |
| P-1 (No. 2) | triclinic | — | — | — | 3.11 |
| — | — | — | — | — | 6.03 |
| — | — | — | — | — | 5.65 |
| — | — | — | — | — | 6.03 |
| — | — | — | — | — | 4.47 |
| — | — | — | — | — | 5.99 |
| P63/mmc (No. 194) | — | — | — | — | — |
Uses
Applications
Where Gadolinium borate is used.
Phosphor materialsOptical devicesLaser host crystalsSolid-state lighting
Reference
Frequently Asked Questions
Common questions about Gadolinium borate, answered from cross-validated data.
What is B2Gd2O6?
Gadolinium borate is a crystalline inorganic compound often utilized for its optical and luminescent properties. It serves as a host material for various dopants in the development of advanced lighting and display technologies.
More questions
What is B2Gd2O6 used for?
Gadolinium borate (B2Gd2O6) is used in phosphor materials, optical devices, laser host crystals, and solid-state lighting.
What is the band gap of B2Gd2O6?
Gadolinium borate (B2Gd2O6) has a DFT-computed band gap of 0.17–3.10 eV across 11 reported structures.
Is B2Gd2O6 a metal, semiconductor, or insulator?
With a wide band gap up to 3.10 eV it is an insulator / wide-band-gap material.
Is B2Gd2O6 thermodynamically stable?
Yes — Gadolinium borate (B2Gd2O6) sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of B2Gd2O6?
The lowest-energy reported polymorph of Gadolinium borate (B2Gd2O6) is monoclinic symmetry, space group C2/c (No. 15).
What is the density of B2Gd2O6?
The computed density of the ground-state structure of Gadolinium borate (B2Gd2O6) is 6.33 g/cm³.
How many polymorphs of B2Gd2O6 are known?
11 structures of B2Gd2O6 are reported across 4 databases, spanning 5 distinct space groups.
What elements does B2Gd2O6 contain?
Gadolinium borate (B2Gd2O6) contains B, Gd, and O (3 elements).
Where does the data for B2Gd2O6 come from?
B2Gd2O6 data is cross-referenced from materials_project, cod, omat24, aflow.
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).
- 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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