H12Li8Os2
This compound is a complex metal hydride containing lithium and osmium. It is primarily studied in fundamental materials science research to understand the structural and electronic properties of ternary hydride systems.
Key Properties
Cross-validated computational properties for H12Li8Os2, 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 H12Li8Os2, 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. |
|---|---|---|---|---|---|
| R-3c (No. 167) | trigonal | 2.69 | 0.0000 | -8.060 | 3.81 |
| R-3c (No. 167) | — | — | — | — | — |
| — | — | — | — | — | 3.37 |
Applications
Where H12Li8Os2 is used.
Frequently Asked Questions
Common questions about H12Li8Os2, answered from cross-validated data.
What is H12Li8Os2?
This compound is a complex metal hydride containing lithium and osmium. It is primarily studied in fundamental materials science research to understand the structural and electronic properties of ternary hydride systems.
What is H12Li8Os2 used for?
What is the band gap of H12Li8Os2?
Is H12Li8Os2 a metal, semiconductor, or insulator?
Is H12Li8Os2 thermodynamically stable?
What is the crystal structure of H12Li8Os2?
What is the density of H12Li8Os2?
How many polymorphs of H12Li8Os2 are known?
What elements does H12Li8Os2 contain?
Where does the data for H12Li8Os2 come from?
Related Compounds
Other Hydrogen Storage Hydrides in the database.
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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