OsSe2
OsSe2 is a thermodynamically stable metallic compound composed of osmium and selenium that is frequently analyzed for its structural variety.
About OsSe2
OsSe2 is a metallic osmium selenide that stands out for its structural robustness. As a thermodynamically stable compound situated on the convex hull, it represents a highly reliable phase for experimental and theoretical investigation. Its electronic character suggests potential utility in applications requiring conductive chalcogenide frameworks. The compound is characterized by significant structural diversity, with a vast number of reported configurations across various databases, highlighting its importance in materials science research. This wealth of structural data underscores its stability and the interest it garners within the scientific community for its unique bonding environment.
Key Properties
Cross-validated computational properties for OsSe2, 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 OsSe2, 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. |
|---|---|---|---|---|---|
| Pa-3 (No. 205) | cubic | 0.00 | 0.0000 | -27.483 | 10.82 |
| P21 (No. 4) | Monoclinic | — | — | — | 8.51 |
| P1 (No. 1) | Triclinic | — | — | — | 8.06 |
| C2 (No. 5) | Monoclinic | — | — | — | 11.89 |
| C2 (No. 5) | Monoclinic | — | — | — | 7.88 |
| C2 (No. 5) | Monoclinic | — | — | — | 10.03 |
| P-1 (No. 2) | Triclinic | — | — | — | 13.47 |
| P-1 (No. 2) | Triclinic | — | — | — | 7.75 |
| Cm (No. 8) | Monoclinic | — | — | — | 10.64 |
| P3m1 (No. 156) | Trigonal | — | — | — | 14.84 |
| P-3m1 (No. 164) | Trigonal | — | — | — | 7.00 |
| C2/m (No. 12) | Monoclinic | — | — | — | 6.18 |
Applications
Where OsSe2 is used.
Frequently Asked Questions
Common questions about OsSe2, answered from cross-validated data.
What is OsSe2?
OsSe2 is a thermodynamically stable metallic compound composed of osmium and selenium that is frequently analyzed for its structural variety.
What is OsSe2 used for?
What is the band gap of OsSe2?
Is OsSe2 a metal, semiconductor, or insulator?
Is OsSe2 thermodynamically stable?
What is the crystal structure of OsSe2?
What is the density of OsSe2?
How many polymorphs of OsSe2 are known?
What elements does OsSe2 contain?
Where does the data for OsSe2 come from?
How It Compares
As a thermodynamically stable metallic compound, OsSe2 serves as a foundational reference point for osmium-based chalcogenides. Its position on the convex hull ensures it remains a primary subject of study for researchers looking to understand the interplay between heavy transition metals and selenium in stable, conductive crystalline architectures.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
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