CaSnO2
Calcium stannite is a mixed metal oxide that belongs to the perovskite-related family of materials. It is primarily studied for its potential roles in electronic and optoelectronic devices due to its specific structural and chemical properties.
Overview
Key Properties
Cross-validated computational properties for CaSnO2, 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.
0.21–2.23 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.
0.080 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.
Metastable
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
38
4 databases, 15 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for CaSnO2, 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. |
|---|---|---|---|---|---|
| Imma (No. 74) | orthorhombic | 1.66 | 0.0795 | -6.570 | 4.97 |
| Cm (No. 8) | monoclinic | 1.68 | 0.1029 | -6.547 | 4.96 |
| Cm (No. 8) | monoclinic | 1.44 | 0.1112 | -6.539 | 4.90 |
| Pmmn (No. 59) | orthorhombic | 2.23 | 0.1440 | -6.506 | 4.21 |
| Cm (No. 8) | monoclinic | 0.56 | 0.1567 | -6.536 | 5.11 |
| P1 (No. 1) | triclinic | 0.41 | 0.1685 | -6.481 | 4.84 |
| C2/m (No. 12) | monoclinic | 1.05 | 0.1712 | -6.479 | 5.08 |
| Pnma (No. 62) | orthorhombic | 1.26 | 0.1814 | -6.468 | 5.45 |
| Cm (No. 8) | monoclinic | 0.74 | 0.1898 | -6.460 | 4.92 |
| Pca21 (No. 29) | orthorhombic | 1.45 | 0.1909 | -6.459 | 5.51 |
| R-3m (No. 166) | trigonal | 0.21 | 0.1918 | -6.501 | 4.70 |
| P1 (No. 1) | triclinic | 0.00 | 0.1977 | -6.305 | 4.70 |
Uses
Applications
Where CaSnO2 is used.
Semiconductor researchCatalysisSolid-state chemistry studies
Reference
Frequently Asked Questions
Common questions about CaSnO2, answered from cross-validated data.
What is CaSnO2?
Calcium stannite is a mixed metal oxide that belongs to the perovskite-related family of materials. It is primarily studied for its potential roles in electronic and optoelectronic devices due to its specific structural and chemical properties.
More questions
What is CaSnO2 used for?
CaSnO2 is used in semiconductor research, catalysis, and solid-state chemistry studies.
What is the band gap of CaSnO2?
CaSnO2 has a DFT-computed band gap of 0.21–2.23 eV across 38 reported structures.
Is CaSnO2 a metal, semiconductor, or insulator?
With a band gap up to 2.23 eV it is a semiconductor.
Is CaSnO2 thermodynamically stable?
CaSnO2 has a lowest energy above hull of 0.080 eV/atom (metastable).
What is the crystal structure of CaSnO2?
The lowest-energy reported polymorph of CaSnO2 is orthorhombic symmetry, space group Imma (No. 74).
What is the density of CaSnO2?
The computed density of the ground-state structure of CaSnO2 is 4.97 g/cm³.
How many polymorphs of CaSnO2 are known?
38 structures of CaSnO2 are reported across 4 databases, spanning 15 distinct space groups.
What elements does CaSnO2 contain?
CaSnO2 contains Ca, O, and Sn (3 elements).
Where does the data for CaSnO2 come from?
CaSnO2 data is cross-referenced from materials_project, cod.
Explore
Related Compounds
Other Perovskite Oxides in the database.
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).
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