BiBrO
BiBrO is a stable, semiconducting bismuth oxybromide compound used in materials science research.
About BiBrO
BiBrO is a bismuth-based oxyhalide that functions as a semiconductor. Its position on the thermodynamic convex hull indicates high structural stability, making it a reliable candidate for materials research and long-term device integration.
This compound is characterized by its layered structural motifs, which are typical for bismuth oxyhalides. Its electronic properties allow it to participate in light-harvesting applications, where its stability ensures consistent performance under various environmental conditions.
Key Properties
Cross-validated computational properties for BiBrO, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of BiBrO. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for BiBrO, 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. |
|---|---|---|---|---|---|
| P4/nmm (No. 129) | tetragonal | 2.23 | 0.0000 | -5.047 | 7.82 |
| No. 0 | unknown | — | — | — | 4.09 |
| No. 0 | unknown | — | — | — | 4.06 |
| Pm (No. 6) | Monoclinic | — | — | — | 6.61 |
| P21/m (No. 11) | Monoclinic | — | — | — | 4.01 |
| P21/m (No. 11) | Monoclinic | — | — | — | 3.41 |
| P21/m (No. 11) | Monoclinic | — | — | — | 6.62 |
| P21/m (No. 11) | Monoclinic | — | — | — | 6.65 |
| P21/m (No. 11) | Monoclinic | — | — | — | 3.22 |
| P4/nmm (No. 129) | — | — | — | — | — |
Applications
Where BiBrO is used.
Frequently Asked Questions
Common questions about BiBrO, answered from cross-validated data.
What is BiBrO?
BiBrO is a stable, semiconducting bismuth oxybromide compound used in materials science research.
What is BiBrO used for?
What is the band gap of BiBrO?
Is BiBrO a metal, semiconductor, or insulator?
Is BiBrO thermodynamically stable?
What is the crystal structure of BiBrO?
What is the density of BiBrO?
How many polymorphs of BiBrO are known?
What elements does BiBrO contain?
Where does the data for BiBrO come from?
How It Compares
As a member of the bismuth oxyhalide family, BiBrO serves as a fundamental building block for exploring layered semiconductor physics. It acts as a primary reference point for understanding how halide substitution influences the electronic and structural behavior of bismuth-based compounds.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
Analyze BiBrO in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →