Sr2Hf7O16
Sr2Hf7O16 is a wide-band-gap insulating oxide that is theoretically predicted to be stable enough for potential synthesis and use in advanced materials applications.
About Sr2Hf7O16
Sr2Hf7O16 is a complex oxide composed of strontium, hafnium, and oxygen. As a wide-band-gap insulator, it exhibits electronic properties characteristic of highly stable dielectric materials, positioning it as an intriguing subject for research into high-performance ceramic oxides.
Its status as a near-hull phase suggests that this compound is likely synthesizable under appropriate experimental conditions. The existence of multiple reported structural configurations across databases highlights its structural diversity and potential for tuning physical properties through synthesis control.
Key Properties
Cross-validated computational properties for Sr2Hf7O16, 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 Sr2Hf7O16, 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. |
|---|---|---|---|---|---|
| R-3 (No. 148) | trigonal | 4.44 | 0.0027 | -10.024 | 9.02 |
| R-3 (No. 148) | — | — | — | — | — |
| R-3 (No. 148) | Trigonal | — | — | — | 8.79 |
| R-3 (No. 148) | Trigonal | — | — | — | 9.36 |
| R-3 (No. 148) | Trigonal | — | — | — | 9.01 |
Applications
Where Sr2Hf7O16 is used.
Frequently Asked Questions
Common questions about Sr2Hf7O16, answered from cross-validated data.
What is Sr2Hf7O16?
Sr2Hf7O16 is a wide-band-gap insulating oxide that is theoretically predicted to be stable enough for potential synthesis and use in advanced materials applications.
What is Sr2Hf7O16 used for?
What is the band gap of Sr2Hf7O16?
Is Sr2Hf7O16 a metal, semiconductor, or insulator?
Is Sr2Hf7O16 thermodynamically stable?
What is the crystal structure of Sr2Hf7O16?
What is the density of Sr2Hf7O16?
How many polymorphs of Sr2Hf7O16 are known?
What elements does Sr2Hf7O16 contain?
Where does the data for Sr2Hf7O16 come from?
How It Compares
As a unique complex oxide within this compositional space, Sr2Hf7O16 serves as a critical reference point for understanding the interplay between strontium and hafnium in oxygen-rich lattices. It represents a distinct structural arrangement that bridges the gap between simpler binary oxides and more complex ternary systems, offering a specific stoichiometry that may provide enhanced thermal or dielectric stability compared to its simpler constituent counterparts.
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).
- mpaloe — Data from mpaloe.
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