Hf2Mg2O6
Hf2Mg2O6 is a semiconducting oxide containing hafnium and magnesium that exists in multiple structural forms despite being thermodynamically metastable.
About Hf2Mg2O6
Hf2Mg2O6 is an oxide compound composed of hafnium, magnesium, and oxygen. As a semiconducting material, it represents a complex arrangement of elements that has been documented across multiple structural databases, reflecting significant interest in its potential atomic configurations.
While the compound is currently identified as being thermodynamically above the hull, its existence in various structural forms highlights the ongoing research into metastable phases. Understanding such materials is essential for expanding the library of semiconductors available for future electronic and optoelectronic applications.
Key Properties
Cross-validated computational properties for Hf2Mg2O6, 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 Hf2Mg2O6, 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. |
|---|---|---|---|---|---|
| Pm-3m (No. 221) | cubic | 1.17 | 0.5895 | -8.324 | 6.17 |
| I4/mcm (No. 140) | — | — | — | — | — |
| R-3 (No. 148) | — | — | — | — | — |
| R3c (No. 161) | — | — | — | — | — |
| R3c (No. 161) | — | — | — | — | — |
| R-3c (No. 167) | — | — | — | — | — |
| I4/mcm (No. 140) | — | — | — | — | — |
| R-3 (No. 148) | — | — | — | — | — |
| R-3c (No. 167) | — | — | — | — | — |
| R3c (No. 161) | — | — | — | — | — |
| R3c (No. 161) | — | — | — | — | — |
| — | — | — | — | — | 7.10 |
Applications
Where Hf2Mg2O6 is used.
Frequently Asked Questions
Common questions about Hf2Mg2O6, answered from cross-validated data.
What is Hf2Mg2O6?
Hf2Mg2O6 is a semiconducting oxide containing hafnium and magnesium that exists in multiple structural forms despite being thermodynamically metastable.
What is Hf2Mg2O6 used for?
What is the band gap of Hf2Mg2O6?
Is Hf2Mg2O6 a metal, semiconductor, or insulator?
Is Hf2Mg2O6 thermodynamically stable?
What is the crystal structure of Hf2Mg2O6?
What is the density of Hf2Mg2O6?
How many polymorphs of Hf2Mg2O6 are known?
What elements does Hf2Mg2O6 contain?
Where does the data for Hf2Mg2O6 come from?
How It Compares
As a unique oxide composition, Hf2Mg2O6 serves as a distinct subject of study within the broader landscape of complex metal oxides. Unlike more conventional, highly stable oxides, it occupies a specialized space where structural diversity is prioritized over thermodynamic ground-state stability, providing researchers with insights into the synthesis of unconventional semiconducting phases.
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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