Hf2O8Zr2
Hf2O8Zr2 is a metastable, insulating oxide compound containing hafnium and zirconium that is studied for its potential applications in electronic materials.
About Hf2O8Zr2
Hf2O8Zr2 is a complex oxide composed of hafnium, zirconium, and oxygen. As a wide-gap insulator, it exhibits electronic characteristics typical of high-performance dielectric materials, making it a subject of interest for researchers investigating advanced thin-film components.
Although it is considered a metastable phase, the compound has been identified across multiple structural databases. Its existence highlights the intricate phase landscape of hafnium-zirconium-based oxides, which are critical for developing next-generation microelectronic devices.
Key Properties
Cross-validated computational properties for Hf2O8Zr2, 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 Hf2O8Zr2, 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 | 3.56 | 0.0390 | -10.261 | 7.10 |
| Cmmm (No. 65) | orthorhombic | 3.44 | 0.0396 | -10.260 | 7.10 |
| I41/a (No. 88) | tetragonal | 4.07 | 0.0484 | -10.251 | 8.12 |
| Cm (No. 8) | monoclinic | 3.95 | 0.0570 | -10.242 | 8.17 |
| P213 (No. 198) | cubic | 3.29 | 0.0803 | -10.219 | 8.28 |
| I41/amd (No. 141) | — | — | — | — | — |
| I41/a (No. 88) | — | — | — | — | — |
| P2/c (No. 13) | — | — | — | — | — |
| I41/a (No. 88) | — | — | — | — | — |
| P2/c (No. 13) | — | — | — | — | — |
| — | — | — | — | — | 6.12 |
| I41/amd (No. 141) | — | — | — | — | — |
Applications
Where Hf2O8Zr2 is used.
Frequently Asked Questions
Common questions about Hf2O8Zr2, answered from cross-validated data.
What is Hf2O8Zr2?
Hf2O8Zr2 is a metastable, insulating oxide compound containing hafnium and zirconium that is studied for its potential applications in electronic materials.
What is Hf2O8Zr2 used for?
What is the band gap of Hf2O8Zr2?
Is Hf2O8Zr2 a metal, semiconductor, or insulator?
Is Hf2O8Zr2 thermodynamically stable?
What is the crystal structure of Hf2O8Zr2?
What is the density of Hf2O8Zr2?
How many polymorphs of Hf2O8Zr2 are known?
What elements does Hf2O8Zr2 contain?
Where does the data for Hf2O8Zr2 come from?
How It Compares
As a unique oxide phase, Hf2O8Zr2 represents a specialized configuration within the broader family of hafnium-zirconium binary and ternary systems, serving as a distinct structural variant that contributes to the fundamental understanding of metal-oxide stability.
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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