BaMg14NiO16
BaMg14NiO16 is a complex, wide-band-gap insulating oxide that exists as a metastable phase within the barium-magnesium-nickel-oxygen system.
About BaMg14NiO16
BaMg14NiO16 is a complex quaternary oxide composed of barium, magnesium, nickel, and oxygen. As a wide-band-gap insulating material, it exhibits electronic properties characteristic of highly localized charge carriers, making it a subject of interest for fundamental materials research.
While the compound has been identified in multiple structural configurations across various databases, it is currently characterized as being thermodynamically unstable relative to its constituent phases. This positioning highlights its role as a metastable phase that offers insights into complex oxide formation pathways.
Key Properties
Cross-validated computational properties for BaMg14NiO16, 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 BaMg14NiO16, 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. |
|---|---|---|---|---|---|
| Pmmm (No. 47) | orthorhombic | 3.75 | 0.1882 | -6.154 | 3.84 |
| P4/mmm (No. 123) | tetragonal | 3.42 | 0.1901 | -6.152 | 3.84 |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 3.84 |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 3.99 |
| Pmmm (No. 47) | Orthorhombic | — | — | — | 3.84 |
| Pmmm (No. 47) | Orthorhombic | — | — | — | 3.99 |
| P4/mmm (No. 123) | Tetragonal | — | — | — | 4.06 |
| Pmmm (No. 47) | Orthorhombic | — | — | — | 4.06 |
| — | — | — | — | — | — |
Frequently Asked Questions
Common questions about BaMg14NiO16, answered from cross-validated data.
What is BaMg14NiO16?
BaMg14NiO16 is a complex, wide-band-gap insulating oxide that exists as a metastable phase within the barium-magnesium-nickel-oxygen system.
What is the band gap of BaMg14NiO16?
Is BaMg14NiO16 a metal, semiconductor, or insulator?
Is BaMg14NiO16 thermodynamically stable?
What is the crystal structure of BaMg14NiO16?
What is the density of BaMg14NiO16?
How many polymorphs of BaMg14NiO16 are known?
What elements does BaMg14NiO16 contain?
Where does the data for BaMg14NiO16 come from?
How It Compares
As a unique quaternary oxide, BaMg14NiO16 represents a specialized structural arrangement within the broader landscape of barium-magnesium-nickel oxides. Unlike more common, thermodynamically stable ceramic phases, this compound serves as a distinct example of how complex stoichiometry can lead to metastable configurations in insulating oxide systems.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- alexandria — Data from alexandria.
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