MoBrO
MoBrO is a stable, semiconducting inorganic compound consisting of molybdenum, bromine, and oxygen.
About MoBrO
MoBrO is a distinct inorganic compound composed of molybdenum, bromine, and oxygen. As a thermodynamically stable phase residing on the convex hull, it represents a robust structural arrangement that is well-defined within the chemical landscape. Its electronic character is defined as semiconducting, making it an interesting candidate for electronic and optoelectronic investigations. The material has been identified across multiple structural configurations, highlighting its versatility in solid-state chemistry. It serves as a valuable subject for researchers exploring the interplay between transition metals and chalcogens or halides in complex lattice environments.
Key Properties
Cross-validated computational properties for MoBrO, aggregated across 2 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 MoBrO, 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. |
|---|---|---|---|---|---|
| Cc (No. 9) | monoclinic | 1.47 | 0.0000 | -6.196 | 4.57 |
| Pmmn (No. 59) | Orthorhombic | — | — | — | 4.29 |
| Pmmn (No. 59) | Orthorhombic | — | — | — | 4.21 |
| P1 (No. 1) | Triclinic | — | — | — | 4.29 |
| P-1 (No. 2) | Triclinic | — | — | — | 5.63 |
| Pc (No. 7) | Monoclinic | — | — | — | 4.29 |
| P-1 (No. 2) | Triclinic | — | — | — | 5.47 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.57 |
| P1 (No. 1) | Triclinic | — | — | — | 8.13 |
| P2/c (No. 13) | Monoclinic | — | — | — | 4.85 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.71 |
| P-1 (No. 2) | Triclinic | — | — | — | 4.58 |
Applications
Where MoBrO is used.
Frequently Asked Questions
Common questions about MoBrO, answered from cross-validated data.
What is MoBrO?
MoBrO is a stable, semiconducting inorganic compound consisting of molybdenum, bromine, and oxygen.
What is MoBrO used for?
What is the band gap of MoBrO?
Is MoBrO a metal, semiconductor, or insulator?
Is MoBrO thermodynamically stable?
What is the crystal structure of MoBrO?
What is the density of MoBrO?
How many polymorphs of MoBrO are known?
What elements does MoBrO contain?
Where does the data for MoBrO come from?
How It Compares
As a unique inorganic compound, MoBrO occupies a specialized niche in materials science. Without direct siblings in this specific classification, it stands as a standalone reference point for understanding the stability and electronic behavior of mixed-anion molybdenum systems.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
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