Br12K4Mn4
Br12K4Mn4 is a semiconducting potassium manganese bromide compound that is considered likely to be synthesizable due to its favorable thermodynamic stability.
About Br12K4Mn4
Br12K4Mn4 is a complex bromide-based inorganic compound featuring manganese and potassium. Its electronic character is defined as semiconducting, positioning it as a material of interest for fundamental studies in solid-state chemistry and electronic property modulation.
Because it resides near the thermodynamic hull, this compound is considered a viable candidate for synthesis. The existence of multiple reported structural variations across databases highlights its structural diversity and the ongoing interest in characterizing its atomic arrangements.
Key Properties
Cross-validated computational properties for Br12K4Mn4, 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 Br12K4Mn4, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 1.79 | 0.0013 | -4.548 | 3.85 |
| Pnma (No. 62) | — | — | — | — | — |
| — | — | — | — | — | 2.97 |
| — | — | — | — | — | 3.06 |
Applications
Where Br12K4Mn4 is used.
Frequently Asked Questions
Common questions about Br12K4Mn4, answered from cross-validated data.
What is Br12K4Mn4?
Br12K4Mn4 is a semiconducting potassium manganese bromide compound that is considered likely to be synthesizable due to its favorable thermodynamic stability.
What is Br12K4Mn4 used for?
What is the band gap of Br12K4Mn4?
Is Br12K4Mn4 a metal, semiconductor, or insulator?
Is Br12K4Mn4 thermodynamically stable?
What is the crystal structure of Br12K4Mn4?
What is the density of Br12K4Mn4?
How many polymorphs of Br12K4Mn4 are known?
What elements does Br12K4Mn4 contain?
Where does the data for Br12K4Mn4 come from?
How It Compares
As a unique inorganic bromide, Br12K4Mn4 represents a specialized structural motif within its chemical family. While it currently stands as a distinct entry without direct siblings in this context, its position near the thermodynamic stability limit makes it a notable subject for exploring phase transitions and structural stability in manganese-rich halide systems.
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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