BaMnF4
BaMnF4 is a semiconducting barium manganese fluoride compound that is thermodynamically stable and structurally diverse.
About BaMnF4
BaMnF4 is a complex fluoride compound composed of barium, manganese, and fluorine. As a semiconducting material, it exhibits unique electronic properties that distinguish it from standard ionic insulators, making it a subject of interest for researchers investigating specialized electronic behaviors in inorganic fluorides. Its status as a near-hull material suggests that it is thermodynamically stable enough to be synthesized and studied in laboratory settings.
With multiple reported structures across various databases, this compound represents a well-documented entry in the field of inorganic materials science. Its structural diversity provides a foundation for understanding how manganese-based fluorides can be manipulated for electronic applications, contributing to the broader knowledge of transition metal fluoride chemistry.
Key Properties
Cross-validated computational properties for BaMnF4, aggregated across 4 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 BaMnF4, 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. |
|---|---|---|---|---|---|
| Cmc21 (No. 36) | orthorhombic | 2.32 | 0.0062 | -6.681 | 4.67 |
| Cmc21 (No. 36) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 1.15 |
| No. 0 | unknown | — | — | — | 0.54 |
| No. 0 | unknown | — | — | — | 1.17 |
| Cmc21 (No. 36) | Orthorhombic | — | — | — | 4.42 |
| Cmc21 (No. 36) | Orthorhombic | — | — | — | 4.64 |
| Cmc21 (No. 36) | Orthorhombic | — | — | — | 4.67 |
| No. 0 | unknown | — | — | — | 1.17 |
| No. 0 | unknown | — | — | — | 1.16 |
| No. 0 | unknown | — | — | — | 1.17 |
| No. 0 | unknown | — | — | — | 1.17 |
Applications
Where BaMnF4 is used.
Frequently Asked Questions
Common questions about BaMnF4, answered from cross-validated data.
What is BaMnF4?
BaMnF4 is a semiconducting barium manganese fluoride compound that is thermodynamically stable and structurally diverse.
What is BaMnF4 used for?
What is the band gap of BaMnF4?
Is BaMnF4 a metal, semiconductor, or insulator?
Is BaMnF4 thermodynamically stable?
What is the crystal structure of BaMnF4?
What is the density of BaMnF4?
How many polymorphs of BaMnF4 are known?
What elements does BaMnF4 contain?
Where does the data for BaMnF4 come from?
How It Compares
As a member of the inorganic fluoride family, BaMnF4 serves as a representative example of how transition metal incorporation influences the electronic character of these materials. While many fluorides are characterized by wide-gap insulating behavior, the semiconducting nature of this compound highlights the distinct role that manganese plays in tailoring the electronic landscape of the crystal lattice.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- mpaloe — Data from mpaloe.
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