Bi4Hf4O14
Bi4Hf4O14 is a stable, wide-gap insulating oxide containing bismuth and hafnium.
About Bi4Hf4O14
Bi4Hf4O14 is a complex oxide composed of bismuth, hafnium, and oxygen. As a thermodynamically stable phase residing on the convex hull, it represents a robust crystalline arrangement that maintains structural integrity under standard conditions.
This material functions as a wide-gap insulator, a characteristic that makes it a subject of interest for electronic and dielectric research. Its unique composition leverages the heavy-metal nature of bismuth and the refractory stability of hafnium to create a distinct inorganic framework.
Key Properties
Cross-validated computational properties for Bi4Hf4O14, 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 Bi4Hf4O14, 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 (No. 5) | monoclinic | 2.94 | 0.0000 | -8.609 | 9.41 |
| I-4 (No. 82) | tetragonal | 3.29 | 0.0000 | -8.609 | 9.41 |
| No. 0 | unknown | — | — | — | 4.59 |
| — | — | — | — | — | 9.12 |
| — | — | — | — | — | 9.12 |
Applications
Where Bi4Hf4O14 is used.
Frequently Asked Questions
Common questions about Bi4Hf4O14, answered from cross-validated data.
What is Bi4Hf4O14?
Bi4Hf4O14 is a stable, wide-gap insulating oxide containing bismuth and hafnium.
What is Bi4Hf4O14 used for?
What is the band gap of Bi4Hf4O14?
Is Bi4Hf4O14 a metal, semiconductor, or insulator?
Is Bi4Hf4O14 thermodynamically stable?
What is the crystal structure of Bi4Hf4O14?
What is the density of Bi4Hf4O14?
How many polymorphs of Bi4Hf4O14 are known?
What elements does Bi4Hf4O14 contain?
Where does the data for Bi4Hf4O14 come from?
How It Compares
As a specialized ternary oxide, Bi4Hf4O14 occupies a unique niche in materials science. While many bismuth-based oxides are studied for their ferroelectric or photocatalytic properties, this compound stands out due to its specific stoichiometric stability and insulating electronic character, serving as a foundational reference for high-stability oxide design.
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).
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