NaHfMg14O15
NaHfMg14O15 is a semiconducting quaternary oxide containing sodium, hafnium, and magnesium that is currently studied for its diverse structural possibilities.
About NaHfMg14O15
NaHfMg14O15 is a complex quaternary oxide composed of sodium, hafnium, magnesium, and oxygen. As a semiconducting material, it represents a specialized configuration of metal oxides that are subject to ongoing structural investigation. Its electronic character suggests potential utility in niche semiconductor applications where specific ionic arrangements are required. The material is currently categorized as thermodynamically unstable, existing above the convex hull, which highlights the synthetic challenges associated with its formation. Despite this, the presence of multiple reported structural variations indicates significant interest in its potential phases and atomic arrangements.
Key Properties
Cross-validated computational properties for NaHfMg14O15, aggregated across 2 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 NaHfMg14O15, 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. |
|---|---|---|---|---|---|
| Pmm2 (No. 25) | orthorhombic | 0.69 | 0.1212 | -6.313 | 4.02 |
| Pmm2 (No. 25) | orthorhombic | 0.56 | 0.1288 | -6.305 | 4.02 |
| Pmm2 (No. 25) | orthorhombic | 0.22 | 0.1364 | -6.297 | 3.99 |
| Pmm2 (No. 25) | orthorhombic | 0.05 | 0.1419 | -6.292 | 4.01 |
| Pmm2 (No. 25) | Orthorhombic | — | — | — | 4.02 |
| Pmm2 (No. 25) | Orthorhombic | — | — | — | 4.22 |
| Pmm2 (No. 25) | Orthorhombic | — | — | — | 3.99 |
| Pmm2 (No. 25) | Orthorhombic | — | — | — | 4.15 |
| Pmm2 (No. 25) | Orthorhombic | — | — | — | 4.24 |
| Pmm2 (No. 25) | Orthorhombic | — | — | — | 4.02 |
| Pmm2 (No. 25) | Orthorhombic | — | — | — | 4.25 |
| Pmm2 (No. 25) | Orthorhombic | — | — | — | 4.17 |
Applications
Where NaHfMg14O15 is used.
Frequently Asked Questions
Common questions about NaHfMg14O15, answered from cross-validated data.
What is NaHfMg14O15?
NaHfMg14O15 is a semiconducting quaternary oxide containing sodium, hafnium, and magnesium that is currently studied for its diverse structural possibilities.
What is NaHfMg14O15 used for?
What is the band gap of NaHfMg14O15?
Is NaHfMg14O15 a metal, semiconductor, or insulator?
Is NaHfMg14O15 thermodynamically stable?
What is the crystal structure of NaHfMg14O15?
What is the density of NaHfMg14O15?
How many polymorphs of NaHfMg14O15 are known?
What elements does NaHfMg14O15 contain?
Where does the data for NaHfMg14O15 come from?
How It Compares
As a unique quaternary oxide, NaHfMg14O15 stands as a distinct entry in the landscape of complex metal oxides, serving as a case study for materials that exist in metastable states. Unlike more common, highly stable binary or ternary oxides, this compound provides insight into the structural complexity possible when combining diverse cations like hafnium and magnesium in an oxygen-rich environment.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
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