SrIO
Strontium iodo-oxide is an inorganic compound containing strontium, iodine, and oxygen. It is primarily studied in the context of solid-state chemistry and materials research for its structural properties.
IOSr
Overview
Key Properties
Cross-validated computational properties for SrIO, 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.
0.06–0.93 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.
0.397 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.
Above hull
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
14
4 databases, 8 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for SrIO, 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. |
|---|---|---|---|---|---|
| Pnma (No. 62) | orthorhombic | 0.93 | 0.3970 | -4.241 | 4.02 |
| Pnma (No. 62) | orthorhombic | 0.06 | 0.4237 | -4.615 | 4.37 |
| P21/c (No. 14) | monoclinic | 0.56 | 0.6177 | -4.020 | 4.02 |
| P1 (No. 1) | triclinic | 0.00 | 0.7228 | -3.915 | 4.17 |
| No. 0 | unknown | — | — | — | 0.62 |
| Pm (No. 6) | — | — | — | — | — |
| P1 (No. 1) | Triclinic | — | — | — | 4.05 |
| P-6m2 (No. 187) | — | — | — | — | — |
| Pm (No. 6) | Monoclinic | — | — | — | 4.19 |
| Cm (No. 8) | Monoclinic | — | — | — | 3.49 |
| P21/m (No. 11) | Monoclinic | — | — | — | 4.44 |
| Cm (No. 8) | Monoclinic | — | — | — | 2.69 |
Uses
Applications
Where SrIO is used.
Materials science researchSolid-state chemistry studies
Reference
Frequently Asked Questions
Common questions about SrIO, answered from cross-validated data.
What is SrIO?
Strontium iodo-oxide is an inorganic compound containing strontium, iodine, and oxygen. It is primarily studied in the context of solid-state chemistry and materials research for its structural properties.
More questions
What is SrIO used for?
SrIO is used in materials science research and solid-state chemistry studies.
What is the band gap of SrIO?
SrIO has a DFT-computed band gap of 0.06–0.93 eV across 14 reported structures.
Is SrIO a metal, semiconductor, or insulator?
With a band gap up to 0.93 eV it is a semiconductor.
Is SrIO thermodynamically stable?
SrIO has a lowest energy above hull of 0.397 eV/atom (above hull).
What is the crystal structure of SrIO?
The lowest-energy reported polymorph of SrIO is orthorhombic symmetry, space group Pnma (No. 62).
What is the density of SrIO?
The computed density of the ground-state structure of SrIO is 4.02 g/cm³.
How many polymorphs of SrIO are known?
14 structures of SrIO are reported across 4 databases, spanning 8 distinct space groups.
What elements does SrIO contain?
SrIO contains I, O, and Sr (3 elements).
Where does the data for SrIO come from?
SrIO data is cross-referenced from materials_project, cod, jarvis, mpaloe.
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).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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