B8O20Zr4
B8O20Zr4 is a thermodynamically stable, insulating zirconium borate compound with a complex structural profile.
About B8O20Zr4
B8O20Zr4 is a complex inorganic compound composed of boron, oxygen, and zirconium. As a wide-band-gap insulator, it exhibits robust electronic characteristics that make it an intriguing candidate for specialized dielectric or structural applications.
Its position on the convex hull indicates that this material is thermodynamically stable, suggesting significant potential for synthesis and long-term performance. The existence of multiple reported structures across databases highlights its structural versatility within the solid-state chemistry landscape.
Key Properties
Cross-validated computational properties for B8O20Zr4, 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 B8O20Zr4, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 3.80 | 0.0000 | -9.024 | 4.65 |
| P21/c (No. 14) | — | — | — | — | — |
| — | — | — | — | — | 4.52 |
Applications
Where B8O20Zr4 is used.
Frequently Asked Questions
Common questions about B8O20Zr4, answered from cross-validated data.
What is B8O20Zr4?
B8O20Zr4 is a thermodynamically stable, insulating zirconium borate compound with a complex structural profile.
What is B8O20Zr4 used for?
What is the band gap of B8O20Zr4?
Is B8O20Zr4 a metal, semiconductor, or insulator?
Is B8O20Zr4 thermodynamically stable?
What is the crystal structure of B8O20Zr4?
What is the density of B8O20Zr4?
How many polymorphs of B8O20Zr4 are known?
What elements does B8O20Zr4 contain?
Where does the data for B8O20Zr4 come from?
How It Compares
As a unique member of its chemical family, B8O20Zr4 represents a distinct structural arrangement of zirconium borates. It serves as a foundational example of how these elements combine to form stable, insulating frameworks, setting a benchmark for future exploration of similar ternary oxide systems.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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