Sr6MgMo3O14
Sr6MgMo3O14 is a semiconducting quaternary oxide that is predicted to be stable enough for laboratory synthesis.
About Sr6MgMo3O14
Sr6MgMo3O14 is a complex quaternary oxide composed of strontium, magnesium, molybdenum, and oxygen. As a semiconducting material, it offers unique electronic properties that make it a subject of interest for researchers investigating oxide-based functional materials.
Given its near-hull thermodynamic stability, this compound is considered a promising candidate for experimental synthesis. The existence of multiple reported structures across various databases underscores its significance as a distinct phase within the broader landscape of complex metal oxides.
Key Properties
Cross-validated computational properties for Sr6MgMo3O14, 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 Sr6MgMo3O14, 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. |
|---|---|---|---|---|---|
| Amm2 (No. 38) | orthorhombic | 0.35 | 0.0225 | -7.497 | 5.19 |
| Amm2 (No. 38) | Orthorhombic | — | — | — | 5.19 |
| Amm2 (No. 38) | Orthorhombic | — | — | — | 5.48 |
| Amm2 (No. 38) | Orthorhombic | — | — | — | 5.76 |
| Amm2 (No. 38) | — | — | — | — | — |
Applications
Where Sr6MgMo3O14 is used.
Frequently Asked Questions
Common questions about Sr6MgMo3O14, answered from cross-validated data.
What is Sr6MgMo3O14?
Sr6MgMo3O14 is a semiconducting quaternary oxide that is predicted to be stable enough for laboratory synthesis.
What is Sr6MgMo3O14 used for?
What is the band gap of Sr6MgMo3O14?
Is Sr6MgMo3O14 a metal, semiconductor, or insulator?
Is Sr6MgMo3O14 thermodynamically stable?
What is the crystal structure of Sr6MgMo3O14?
What is the density of Sr6MgMo3O14?
How many polymorphs of Sr6MgMo3O14 are known?
What elements does Sr6MgMo3O14 contain?
Where does the data for Sr6MgMo3O14 come from?
How It Compares
As a unique quaternary oxide, Sr6MgMo3O14 represents a specific structural arrangement within the family of strontium-based molybdenum oxides. It serves as an important reference point for understanding how the integration of magnesium into the lattice influences the electronic and thermodynamic behavior of these complex systems.
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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