Sr3Hf2O7
Strontium hafnate
This compound is a member of the Ruddlesden-Popper phase family of layered perovskite-related oxides. It is primarily studied for its potential utility in advanced electronic components and as a high-permittivity dielectric material.
HfOSr
Overview
Key Properties
Cross-validated computational properties for Sr3Hf2O7, 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.
3.66–4.25 eV
Range across DFT structures
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.
0.008 eV/atom
Best (lowest) across sources
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.
Near hull (likely stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
9
3 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Sr3Hf2O7, 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. |
|---|---|---|---|---|---|
| Ccce (No. 68) | orthorhombic | 4.25 | 0.0084 | -8.650 | 7.00 |
| I4/mmm (No. 139) | tetragonal | 3.66 | 0.0212 | -8.637 | 6.77 |
| Ccce (No. 68) | Orthorhombic | — | — | — | 6.83 |
| Ccce (No. 68) | Orthorhombic | — | — | — | 7.19 |
| Ccce (No. 68) | — | — | — | — | — |
| I4/mmm (No. 139) | Tetragonal | — | — | — | 7.14 |
| Ccce (No. 68) | Orthorhombic | — | — | — | 7.00 |
| I4/mmm (No. 139) | Tetragonal | — | — | — | 6.77 |
| I4/mmm (No. 139) | Tetragonal | — | — | — | 6.94 |
Uses
Applications
Where Sr3Hf2O7 is used.
Dielectric materialsElectronic device componentsSolid-state research
Reference
Frequently Asked Questions
Common questions about Sr3Hf2O7, answered from cross-validated data.
What is Sr3Hf2O7?
This compound is a member of the Ruddlesden-Popper phase family of layered perovskite-related oxides. It is primarily studied for its potential utility in advanced electronic components and as a high-permittivity dielectric material.
More questions
What is Sr3Hf2O7 used for?
Sr3Hf2O7 is used in dielectric materials, electronic device components, and solid-state research.
What is the band gap of Sr3Hf2O7?
Sr3Hf2O7 has a DFT-computed band gap of 3.66–4.25 eV across 9 reported structures.
Is Sr3Hf2O7 a metal, semiconductor, or insulator?
With a wide band gap up to 4.25 eV it is an insulator / wide-band-gap material.
Is Sr3Hf2O7 thermodynamically stable?
Sr3Hf2O7 has a lowest energy above hull of 0.008 eV/atom (near hull (likely stable)).
What is the crystal structure of Sr3Hf2O7?
The lowest-energy reported polymorph of Sr3Hf2O7 is orthorhombic symmetry, space group Ccce (No. 68).
What is the density of Sr3Hf2O7?
The computed density of the ground-state structure of Sr3Hf2O7 is 7.00 g/cm³.
How many polymorphs of Sr3Hf2O7 are known?
9 structures of Sr3Hf2O7 are reported across 3 databases, spanning 2 distinct space groups.
What elements does Sr3Hf2O7 contain?
Sr3Hf2O7 contains Hf, O, and Sr (3 elements).
Where does the data for Sr3Hf2O7 come from?
Sr3Hf2O7 data is cross-referenced from materials_project, mpaloe, jarvis.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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