I2O2Tm2
Thulium oxyiodide is an inorganic compound consisting of thulium, oxygen, and iodine. It is primarily utilized in specialized research settings for the study of rare-earth halide and oxide materials.
IOTm
Overview
Key Properties
Cross-validated computational properties for I2O2Tm2, 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.
3.39 eV
Range across DFT structures
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.
0.000 eV/atom
Best (lowest) across sources
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.
On hull (stable)
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
4
3 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for I2O2Tm2, 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. |
|---|---|---|---|---|---|
| P4/nmm (No. 129) | tetragonal | 3.39 | 0.0000 | -6.754 | 7.21 |
| No. 0 | unknown | — | — | — | 3.72 |
| — | — | — | — | — | 6.81 |
| — | — | — | — | — | 6.81 |
Uses
Applications
Where I2O2Tm2 is used.
Materials science researchSolid-state chemistry studies
Reference
Frequently Asked Questions
Common questions about I2O2Tm2, answered from cross-validated data.
What is I2O2Tm2?
Thulium oxyiodide is an inorganic compound consisting of thulium, oxygen, and iodine. It is primarily utilized in specialized research settings for the study of rare-earth halide and oxide materials.
More questions
What is I2O2Tm2 used for?
I2O2Tm2 is used in materials science research and solid-state chemistry studies.
What is the band gap of I2O2Tm2?
I2O2Tm2 has a DFT-computed band gap of 3.39 eV across 4 reported structures.
Is I2O2Tm2 a metal, semiconductor, or insulator?
With a wide band gap up to 3.39 eV it is an insulator / wide-band-gap material.
Is I2O2Tm2 thermodynamically stable?
Yes — I2O2Tm2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of I2O2Tm2?
The lowest-energy reported polymorph of I2O2Tm2 is tetragonal symmetry, space group P4/nmm (No. 129).
What is the density of I2O2Tm2?
The computed density of the ground-state structure of I2O2Tm2 is 7.21 g/cm³.
How many polymorphs of I2O2Tm2 are known?
4 structures of I2O2Tm2 are reported across 3 databases, spanning 2 distinct space groups.
What elements does I2O2Tm2 contain?
I2O2Tm2 contains I, O, and Tm (3 elements).
Where does the data for I2O2Tm2 come from?
I2O2Tm2 data is cross-referenced from materials_project, cod, omat24.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
Analyze I2O2Tm2 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →