SrClO2
Strontium chlorite is an inorganic compound composed of strontium, chlorine, and oxygen. It is primarily studied in the context of solid-state chemistry and materials science research.
ClOSr
Overview
Key Properties
Cross-validated computational properties for SrClO2, 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.
2.43 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.
0.218 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.
5
3 databases, 3 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for SrClO2, 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. |
|---|---|---|---|---|---|
| Ccce (No. 68) | orthorhombic | 2.43 | 0.2176 | -4.850 | 3.71 |
| C2 (No. 5) | Monoclinic | — | — | — | 2.75 |
| C2 (No. 5) | Monoclinic | — | — | — | 3.09 |
| C2 (No. 5) | Monoclinic | — | — | — | 2.90 |
| P4/mmm (No. 123) | — | — | — | — | — |
Uses
Applications
Where SrClO2 is used.
Chemical researchMaterials science studies
Reference
Frequently Asked Questions
Common questions about SrClO2, answered from cross-validated data.
What is SrClO2?
Strontium chlorite is an inorganic compound composed of strontium, chlorine, and oxygen. It is primarily studied in the context of solid-state chemistry and materials science research.
More questions
What is SrClO2 used for?
SrClO2 is used in chemical research and materials science studies.
What is the band gap of SrClO2?
SrClO2 has a DFT-computed band gap of 2.43 eV across 5 reported structures.
Is SrClO2 a metal, semiconductor, or insulator?
With a band gap up to 2.43 eV it is a semiconductor.
Is SrClO2 thermodynamically stable?
SrClO2 has a lowest energy above hull of 0.218 eV/atom (above hull).
What is the crystal structure of SrClO2?
The lowest-energy reported polymorph of SrClO2 is orthorhombic symmetry, space group Ccce (No. 68).
What is the density of SrClO2?
The computed density of the ground-state structure of SrClO2 is 3.71 g/cm³.
How many polymorphs of SrClO2 are known?
5 structures of SrClO2 are reported across 3 databases, spanning 3 distinct space groups.
What elements does SrClO2 contain?
SrClO2 contains Cl, O, and Sr (3 elements).
Where does the data for SrClO2 come from?
SrClO2 data is cross-referenced from materials_project, mpaloe, jarvis.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
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