Br2H2Sr2
Br2H2Sr2 is a thermodynamically stable, insulating crystalline compound consisting of strontium, hydrogen, and bromine.
About Br2H2Sr2
Br2H2Sr2 is a distinct inorganic compound composed of strontium, hydrogen, and bromine. As a thermodynamically stable phase residing on the convex hull, it represents a well-defined structural arrangement within its chemical system.
Characterized by its wide-band-gap insulating electronic profile, this material is of interest for fundamental studies into complex hydride-halide systems. Its stability suggests a robust lattice that may offer unique pathways for future applications in solid-state chemistry.
Key Properties
Cross-validated computational properties for Br2H2Sr2, 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 Br2H2Sr2, 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 | 3.83 | 0.0000 | -3.867 | 4.27 |
| No. 0 | unknown | — | — | — | 2.12 |
| P4/nmm (No. 129) | — | — | — | — | — |
Frequently Asked Questions
Common questions about Br2H2Sr2, answered from cross-validated data.
What is Br2H2Sr2?
Br2H2Sr2 is a thermodynamically stable, insulating crystalline compound consisting of strontium, hydrogen, and bromine.
What is the band gap of Br2H2Sr2?
Is Br2H2Sr2 a metal, semiconductor, or insulator?
Is Br2H2Sr2 thermodynamically stable?
What is the crystal structure of Br2H2Sr2?
What is the density of Br2H2Sr2?
How many polymorphs of Br2H2Sr2 are known?
What elements does Br2H2Sr2 contain?
Where does the data for Br2H2Sr2 come from?
How It Compares
As a unique compound within its specific chemical system, Br2H2Sr2 serves as a foundational reference point for understanding the interplay between alkaline earth metals, halides, and hydrides in a stable, insulating framework.
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).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
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