HfBiO4
HfBiO4 is a semiconducting ternary oxide of hafnium and bismuth that is theoretically stable enough to be synthesized for material science research.
About HfBiO4
HfBiO4 is a complex oxide composed of hafnium, bismuth, and oxygen. As a semiconducting material, it occupies a unique space in inorganic chemistry, offering potential for specialized electronic applications where precise control over charge transport is required.
Due to its near-hull thermodynamic stability, this compound is considered a promising candidate for experimental synthesis. Its existence in multiple structural configurations suggests a versatile framework that could be tuned for various functional material requirements.
Key Properties
Cross-validated computational properties for HfBiO4, 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 HfBiO4, 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 | 1.05 | 0.0202 | -8.326 | 9.11 |
| Cm (No. 8) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 1.17 |
| P-1 (No. 2) | — | — | — | — | — |
Applications
Where HfBiO4 is used.
Frequently Asked Questions
Common questions about HfBiO4, answered from cross-validated data.
What is HfBiO4?
HfBiO4 is a semiconducting ternary oxide of hafnium and bismuth that is theoretically stable enough to be synthesized for material science research.
What is HfBiO4 used for?
What is the band gap of HfBiO4?
Is HfBiO4 a metal, semiconductor, or insulator?
Is HfBiO4 thermodynamically stable?
What is the crystal structure of HfBiO4?
What is the density of HfBiO4?
How many polymorphs of HfBiO4 are known?
What elements does HfBiO4 contain?
Where does the data for HfBiO4 come from?
How It Compares
As a distinct ternary oxide, HfBiO4 represents a specific intersection of heavy metal chemistry and semiconducting behavior. While it currently stands as a unique entry in its class, its structural diversity and potential for synthesis position it as a foundational material for future investigations into hafnium-bismuth-based systems.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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