InBrO
InBrO is a stable, semiconducting inorganic compound classified as a transparent conducting oxide.
About InBrO
InBrO is a semiconducting member of the transparent conducting oxide family. As a thermodynamically stable phase located on the convex hull, it represents a robust material choice for applications requiring structural integrity and consistent electronic behavior.
Its unique composition of indium, bromine, and oxygen allows it to function within the broader landscape of transparent electronics. The material is currently a subject of interest for researchers looking to expand the library of stable oxides with tunable semiconducting properties.
Key Properties
Cross-validated computational properties for InBrO, 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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of InBrO. 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 InBrO, 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. |
|---|---|---|---|---|---|
| — | — | 2.15 | 0.0000 | -1.511 | — |
| Pmmn (No. 59) | orthorhombic | 1.88 | 0.0000 | -1.339 | — |
| Pmmn (No. 59) | orthorhombic | 2.06 | 0.0121 | -1.327 | — |
| Pmmn (No. 59) | orthorhombic | 2.00 | 0.1716 | -4.602 | 5.28 |
| Pm (No. 6) | monoclinic | 0.17 | 0.6244 | -0.714 | — |
| — | — | 0.00 | 1.1815 | -0.329 | — |
| P-6m2 (No. 187) | hexagonal | 0.00 | 1.5304 | 0.192 | — |
| Pmmn (No. 59) | orthorhombic | — | — | — | 6.87 |
| Pmmn (No. 59) | orthorhombic | — | — | — | 6.64 |
| Pmmn (No. 59) | orthorhombic | — | — | — | 5.50 |
Applications
Where InBrO is used.
Frequently Asked Questions
Common questions about InBrO, answered from cross-validated data.
What is InBrO?
InBrO is a stable, semiconducting inorganic compound classified as a transparent conducting oxide.
What is InBrO used for?
What is the band gap of InBrO?
Is InBrO a metal, semiconductor, or insulator?
Is InBrO thermodynamically stable?
What is the crystal structure of InBrO?
How many polymorphs of InBrO are known?
What elements does InBrO contain?
Where does the data for InBrO come from?
How It Compares
Within the transparent conducting oxides class.
Within the diverse class of transparent conducting oxides, InBrO occupies a distinct niche compared to well-established binary oxides like ZnO or complex perovskite-like structures such as BaSnO3. While many of its siblings are extensively utilized for their high transparency and conductivity, InBrO provides a unique structural alternative that complements the functional diversity found in materials like ZnGa2O4 or CaIn2O4.
Related Compounds
Other Transparent Conducting Oxides in the database.
Data sources & attribution
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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