Br2K6Mo4O14
Br2K6Mo4O14 is a wide-gap insulating complex oxide containing bromine, potassium, molybdenum, and oxygen that is considered a candidate for laboratory synthesis.
About Br2K6Mo4O14
Br2K6Mo4O14 is a complex inorganic compound composed of bromine, potassium, molybdenum, and oxygen. As a wide-gap insulating material, it exhibits electronic properties characteristic of dielectric oxides, making it an interesting subject for fundamental materials science exploration.
This compound is notable for its position near the thermodynamic hull, suggesting it is a viable candidate for experimental synthesis. Its structural framework, supported by multiple reported entries in materials databases, indicates a stable arrangement that warrants further investigation for specialized chemical applications.
Key Properties
Cross-validated computational properties for Br2K6Mo4O14, 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 Br2K6Mo4O14, 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. |
|---|---|---|---|---|---|
| P63/mmc (No. 194) | hexagonal | 3.09 | 0.0169 | -6.825 | 3.18 |
| P63/mmc (No. 194) | — | — | — | — | — |
| — | — | — | — | — | 3.19 |
Applications
Where Br2K6Mo4O14 is used.
Frequently Asked Questions
Common questions about Br2K6Mo4O14, answered from cross-validated data.
What is Br2K6Mo4O14?
Br2K6Mo4O14 is a wide-gap insulating complex oxide containing bromine, potassium, molybdenum, and oxygen that is considered a candidate for laboratory synthesis.
What is Br2K6Mo4O14 used for?
What is the band gap of Br2K6Mo4O14?
Is Br2K6Mo4O14 a metal, semiconductor, or insulator?
Is Br2K6Mo4O14 thermodynamically stable?
What is the crystal structure of Br2K6Mo4O14?
What is the density of Br2K6Mo4O14?
How many polymorphs of Br2K6Mo4O14 are known?
What elements does Br2K6Mo4O14 contain?
Where does the data for Br2K6Mo4O14 come from?
How It Compares
As a unique complex oxide, Br2K6Mo4O14 represents a distinct structural configuration within the broader landscape of molybdenum-based salts. Without direct structural siblings in this specific class, it stands as an isolated example of how halogen-incorporating polyoxometalate-like frameworks can achieve thermodynamic stability.
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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