H10K6Zn2
H10K6Zn2 is a thermodynamically stable, insulating inorganic compound composed of hydrogen, potassium, and zinc.
About H10K6Zn2
H10K6Zn2 is a distinct inorganic compound characterized by its wide-band-gap electronic structure, which classifies it as an insulator. Its presence on the thermodynamic convex hull indicates that it is a stable phase, making it a subject of interest for fundamental materials research.
Given its specific composition of hydrogen, potassium, and zinc, this material serves as a unique case study in solid-state chemistry. Its structural stability and electronic insulating nature suggest potential utility in specialized applications where high-stability, non-conductive materials are required.
Key Properties
Cross-validated computational properties for H10K6Zn2, 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 H10K6Zn2, 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. |
|---|---|---|---|---|---|
| I4/mcm (No. 140) | tetragonal | 3.44 | 0.0000 | -5.235 | 2.01 |
| I4/mcm (No. 140) | — | — | — | — | — |
| — | — | — | — | — | 2.00 |
Applications
Where H10K6Zn2 is used.
Frequently Asked Questions
Common questions about H10K6Zn2, answered from cross-validated data.
What is H10K6Zn2?
H10K6Zn2 is a thermodynamically stable, insulating inorganic compound composed of hydrogen, potassium, and zinc.
What is H10K6Zn2 used for?
What is the band gap of H10K6Zn2?
Is H10K6Zn2 a metal, semiconductor, or insulator?
Is H10K6Zn2 thermodynamically stable?
What is the crystal structure of H10K6Zn2?
What is the density of H10K6Zn2?
How many polymorphs of H10K6Zn2 are known?
What elements does H10K6Zn2 contain?
Where does the data for H10K6Zn2 come from?
How It Compares
As a unique inorganic phase, H10K6Zn2 occupies a specific niche in solid-state chemistry. Unlike more common binary or ternary compounds, this material represents a specialized arrangement of elements that maintains thermodynamic stability, serving as a distinct reference point for future studies in complex hydride or zincate systems.
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).
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