Ba4Cl2Mn2O14Si4
Ba4Cl2Mn2O14Si4 is a stable, semiconducting complex oxide containing barium, chlorine, manganese, and silicon.
About Ba4Cl2Mn2O14Si4
Ba4Cl2Mn2O14Si4 is a complex quaternary oxide incorporating barium, chlorine, manganese, and silicon. As a thermodynamically stable phase located on the convex hull, it represents a robust crystalline arrangement that maintains structural integrity under standard conditions.
This material exhibits semiconducting electronic behavior, making it a subject of interest for researchers investigating the interplay between transition metal magnetism and silicate frameworks. Its unique composition allows for diverse coordination environments that are essential for exploring new functional inorganic solids.
Key Properties
Cross-validated computational properties for Ba4Cl2Mn2O14Si4, 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 Ba4Cl2Mn2O14Si4, 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. |
|---|---|---|---|---|---|
| P4bm (No. 100) | tetragonal | 1.47 | 0.0000 | -7.717 | 4.33 |
| P4bm (No. 100) | — | — | — | — | — |
| — | — | — | — | — | 4.33 |
| — | — | — | — | — | 4.33 |
Applications
Where Ba4Cl2Mn2O14Si4 is used.
Frequently Asked Questions
Common questions about Ba4Cl2Mn2O14Si4, answered from cross-validated data.
What is Ba4Cl2Mn2O14Si4?
Ba4Cl2Mn2O14Si4 is a stable, semiconducting complex oxide containing barium, chlorine, manganese, and silicon.
What is Ba4Cl2Mn2O14Si4 used for?
What is the band gap of Ba4Cl2Mn2O14Si4?
Is Ba4Cl2Mn2O14Si4 a metal, semiconductor, or insulator?
Is Ba4Cl2Mn2O14Si4 thermodynamically stable?
What is the crystal structure of Ba4Cl2Mn2O14Si4?
What is the density of Ba4Cl2Mn2O14Si4?
How many polymorphs of Ba4Cl2Mn2O14Si4 are known?
What elements does Ba4Cl2Mn2O14Si4 contain?
Where does the data for Ba4Cl2Mn2O14Si4 come from?
How It Compares
As a specialized complex oxide, Ba4Cl2Mn2O14Si4 serves as a distinct example of how incorporating halide anions into a silicate-based lattice can stabilize specific electronic configurations. While it stands as a unique entry in this structural family, it contributes to the broader understanding of how complex stoichiometry influences the stability and semiconducting nature of manganese-bearing materials.
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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