YbI2
YbI2 is a thermodynamically stable, insulating ytterbium halide that serves as a foundational material for studying rare-earth structural chemistry.
About YbI2
YbI2 is a stable inorganic compound composed of ytterbium and iodine. As a wide-band-gap insulator, it exhibits distinct electronic properties that make it a subject of interest for fundamental materials research and specialized chemical applications. Its position on the convex hull confirms its thermodynamic stability, ensuring it remains a robust candidate for experimental investigation. The material is characterized by its structural versatility, with multiple reported configurations across various databases. This diversity in structural arrangements underscores its importance in understanding rare-earth halide behavior and phase stability within the broader context of insulating materials.
Key Properties
Cross-validated computational properties for YbI2, 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 YbI2, 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-3m1 (No. 164) | trigonal | 4.01 | 0.0000 | -29.834 | 6.43 |
| P-3m1 (No. 164) | — | — | — | — | — |
| P1 (No. 1) | Triclinic | — | — | — | 4.48 |
| P1 (No. 1) | Triclinic | — | — | — | 8.39 |
| P1 (No. 1) | Triclinic | — | — | — | 3.38 |
Applications
Where YbI2 is used.
Frequently Asked Questions
Common questions about YbI2, answered from cross-validated data.
What is YbI2?
YbI2 is a thermodynamically stable, insulating ytterbium halide that serves as a foundational material for studying rare-earth structural chemistry.
What is YbI2 used for?
What is the band gap of YbI2?
Is YbI2 a metal, semiconductor, or insulator?
Is YbI2 thermodynamically stable?
What is the crystal structure of YbI2?
What is the density of YbI2?
How many polymorphs of YbI2 are known?
What elements does YbI2 contain?
Where does the data for YbI2 come from?
How It Compares
As a standalone representative of its specific ytterbium-iodide configuration, YbI2 serves as a key reference point for understanding the structural and electronic trends within the rare-earth halide family. Its stability and well-documented structural variations provide a baseline for comparing the bonding characteristics and phase transitions of similar divalent rare-earth compounds.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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