B14Br2Fe6O26
This complex inorganic compound is a specialized iron borate material containing bromine. It is primarily utilized in advanced materials research for studying unique magnetic properties and structural crystallography.
BBrFeO
Overview
Key Properties
Cross-validated computational properties for B14Br2Fe6O26, 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.
3.49–3.68 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
4
3 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for B14Br2Fe6O26, 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. |
|---|---|---|---|---|---|
| R3c (No. 161) | trigonal | 3.68 | 0.0000 | -8.255 | 3.75 |
| F-43c (No. 219) | cubic | 3.49 | 0.0236 | -8.231 | 3.81 |
| — | — | — | — | — | 3.36 |
| R3c (No. 161) | — | — | — | — | — |
Uses
Applications
Where B14Br2Fe6O26 is used.
Materials science researchCrystallographic studiesMagnetic property investigation
Reference
Frequently Asked Questions
Common questions about B14Br2Fe6O26, answered from cross-validated data.
What is B14Br2Fe6O26?
This complex inorganic compound is a specialized iron borate material containing bromine. It is primarily utilized in advanced materials research for studying unique magnetic properties and structural crystallography.
More questions
What is B14Br2Fe6O26 used for?
B14Br2Fe6O26 is used in materials science research, crystallographic studies, and magnetic property investigation.
What is the band gap of B14Br2Fe6O26?
B14Br2Fe6O26 has a DFT-computed band gap of 3.49–3.68 eV across 4 reported structures.
Is B14Br2Fe6O26 a metal, semiconductor, or insulator?
With a wide band gap up to 3.68 eV it is an insulator / wide-band-gap material.
Is B14Br2Fe6O26 thermodynamically stable?
Yes — B14Br2Fe6O26 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of B14Br2Fe6O26?
The lowest-energy reported polymorph of B14Br2Fe6O26 is trigonal symmetry, space group R3c (No. 161).
What is the density of B14Br2Fe6O26?
The computed density of the ground-state structure of B14Br2Fe6O26 is 3.75 g/cm³.
How many polymorphs of B14Br2Fe6O26 are known?
4 structures of B14Br2Fe6O26 are reported across 3 databases, spanning 2 distinct space groups.
What elements does B14Br2Fe6O26 contain?
B14Br2Fe6O26 contains B, Br, Fe, and O (4 elements).
Where does the data for B14Br2Fe6O26 come from?
B14Br2Fe6O26 data is cross-referenced from materials_project, omat24, aflow.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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