H27K6Re3
H27K6Re3 is a thermodynamically stable, insulating compound composed of hydrogen, potassium, and rhenium.
About H27K6Re3
H27K6Re3 is a complex, hydrogen-rich inorganic compound characterized by its wide-band-gap insulating electronic profile. Its position on the thermodynamic convex hull indicates significant stability, marking it as a robust candidate for specialized structural investigations. The material has garnered attention due to its distinct composition, with multiple reported structures highlighting its structural versatility. It serves as a unique subject for researchers exploring the intersection of hydride chemistry and rhenium-based frameworks.
Key Properties
Cross-validated computational properties for H27K6Re3, 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.
Reported Structures
Lowest-energy structures reported for H27K6Re3, 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. |
|---|---|---|---|---|---|
| P-62m (No. 189) | hexagonal | 5.21 | 0.0000 | -8.287 | 3.15 |
| P-62m (No. 189) | — | — | — | — | — |
| — | — | — | — | — | 3.24 |
| P-62m (No. 189) | — | — | — | — | — |
| P-62m (No. 189) | hexagonal | — | — | — | 3.09 |
Frequently Asked Questions
Common questions about H27K6Re3, answered from cross-validated data.
What is H27K6Re3?
H27K6Re3 is a thermodynamically stable, insulating compound composed of hydrogen, potassium, and rhenium.
What is the band gap of H27K6Re3?
Is H27K6Re3 a metal, semiconductor, or insulator?
Is H27K6Re3 thermodynamically stable?
What is the crystal structure of H27K6Re3?
What is the density of H27K6Re3?
How many polymorphs of H27K6Re3 are known?
What elements does H27K6Re3 contain?
Where does the data for H27K6Re3 come from?
How It Compares
As a unique entry in its structural class, H27K6Re3 represents a distinct point of interest for researchers studying the stability of metal-hydrogen-rhenium systems. Without direct structural siblings in this specific grouping, it stands as a singular reference point for understanding the electronic and thermodynamic behavior of such complex, hydrogen-dense insulating materials.
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).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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