Br4H20N4O4
Tetraamminecopper(II) bromide hydrate
This compound is a coordination complex containing copper, ammonia, and bromide ions. It is primarily utilized in chemical research as a precursor for synthesizing other copper-based materials or as a reagent in specialized laboratory procedures.
Key Properties
Cross-validated computational properties for Br4H20N4O4, 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.
Reported Structures
Lowest-energy structures reported for Br4H20N4O4, 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. |
|---|---|---|---|---|---|
| P21/c (No. 14) | monoclinic | 4.57 | 0.0674 | -4.802 | 2.16 |
| P21/c (No. 14) | monoclinic | 4.35 | 0.0831 | -4.786 | 2.13 |
| P21/c (No. 14) | — | — | — | — | — |
| P21/c (No. 14) | monoclinic | — | — | — | 0.57 |
Applications
Where Br4H20N4O4 is used.
Frequently Asked Questions
Common questions about Br4H20N4O4, answered from cross-validated data.
What is Br4H20N4O4?
This compound is a coordination complex containing copper, ammonia, and bromide ions. It is primarily utilized in chemical research as a precursor for synthesizing other copper-based materials or as a reagent in specialized laboratory procedures.
What is Br4H20N4O4 used for?
What is the band gap of Br4H20N4O4?
Is Br4H20N4O4 a metal, semiconductor, or insulator?
Is Br4H20N4O4 thermodynamically stable?
What is the crystal structure of Br4H20N4O4?
What is the density of Br4H20N4O4?
How many polymorphs of Br4H20N4O4 are known?
What elements does Br4H20N4O4 contain?
Where does the data for Br4H20N4O4 come from?
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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