B4Dy4O12
B4Dy4O12 is a stable, insulating dysprosium borate compound used primarily in fundamental solid-state materials research.
About B4Dy4O12
B4Dy4O12 is a complex dysprosium borate characterized by its insulating electronic nature and wide band gap. As a thermodynamically stable phase located on the convex hull, it represents a robust structural configuration within the borate family. Its composition reflects the intricate interplay between rare-earth cations and boron-oxygen frameworks. The material is of significant interest in solid-state chemistry due to its structural diversity, with multiple distinct crystallographic forms documented across research databases. This stability makes it a reliable candidate for fundamental studies into the optical and magnetic properties inherent to dysprosium-containing inorganic compounds.
Key Properties
Cross-validated computational properties for B4Dy4O12, 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 B4Dy4O12, 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. |
|---|---|---|---|---|---|
| P-1 (No. 2) | triclinic | 5.36 | 0.0000 | -8.752 | 6.68 |
| P-1 (No. 2) | triclinic | 5.05 | 0.0284 | -8.724 | 7.32 |
| Ama2 (No. 40) | orthorhombic | 4.51 | 0.0600 | -8.692 | 6.10 |
| — | — | — | — | — | 6.59 |
| P-1 (No. 2) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 3.28 |
Applications
Where B4Dy4O12 is used.
Frequently Asked Questions
Common questions about B4Dy4O12, answered from cross-validated data.
What is B4Dy4O12?
B4Dy4O12 is a stable, insulating dysprosium borate compound used primarily in fundamental solid-state materials research.
What is B4Dy4O12 used for?
What is the band gap of B4Dy4O12?
Is B4Dy4O12 a metal, semiconductor, or insulator?
Is B4Dy4O12 thermodynamically stable?
What is the crystal structure of B4Dy4O12?
What is the density of B4Dy4O12?
How many polymorphs of B4Dy4O12 are known?
What elements does B4Dy4O12 contain?
Where does the data for B4Dy4O12 come from?
How It Compares
As a stable dysprosium borate, this compound serves as a foundational reference point for exploring the structural landscape of rare-earth borate systems. It occupies a unique position in the material space, providing insights into how specific stoichiometry influences the thermodynamic favorability of complex oxide lattices.
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).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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