CaSn2O5
Calcium distannate is a mixed metal oxide that belongs to the stannate family of inorganic compounds. It is primarily studied for its structural properties and potential utility in advanced electronic or catalytic materials.
Overview
Key Properties
Cross-validated computational properties for CaSn2O5, 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.
0.36–1.51 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.
0.070 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.
12
3 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for CaSn2O5, 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. |
|---|---|---|---|---|---|
| Cmcm (No. 63) | orthorhombic | 1.51 | 0.0695 | -6.750 | 5.00 |
| Pmmn (No. 59) | orthorhombic | 0.58 | 0.2002 | -6.620 | 4.81 |
| Cmcm (No. 63) | orthorhombic | 0.36 | 0.2742 | -6.546 | 4.32 |
| Cmcm (No. 63) | — | — | — | — | — |
| Cmcm (No. 63) | — | — | — | — | — |
| Pmmn (No. 59) | — | — | — | — | — |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 5.16 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 5.35 |
| Pmmn (No. 59) | Orthorhombic | — | — | — | 4.94 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 5.00 |
| Pmmn (No. 59) | Orthorhombic | — | — | — | 5.17 |
| Pmmn (No. 59) | Orthorhombic | — | — | — | 4.81 |
Uses
Applications
Where CaSn2O5 is used.
Materials science researchCatalysis studiesSolid-state chemistry
Reference
Frequently Asked Questions
Common questions about CaSn2O5, answered from cross-validated data.
What is CaSn2O5?
Calcium distannate is a mixed metal oxide that belongs to the stannate family of inorganic compounds. It is primarily studied for its structural properties and potential utility in advanced electronic or catalytic materials.
More questions
What is CaSn2O5 used for?
CaSn2O5 is used in materials science research, catalysis studies, and solid-state chemistry.
What is the band gap of CaSn2O5?
CaSn2O5 has a DFT-computed band gap of 0.36–1.51 eV across 12 reported structures.
Is CaSn2O5 a metal, semiconductor, or insulator?
With a band gap up to 1.51 eV it is a semiconductor.
Is CaSn2O5 thermodynamically stable?
CaSn2O5 has a lowest energy above hull of 0.070 eV/atom (metastable).
What is the crystal structure of CaSn2O5?
The lowest-energy reported polymorph of CaSn2O5 is orthorhombic symmetry, space group Cmcm (No. 63).
What is the density of CaSn2O5?
The computed density of the ground-state structure of CaSn2O5 is 5.00 g/cm³.
How many polymorphs of CaSn2O5 are known?
12 structures of CaSn2O5 are reported across 3 databases, spanning 2 distinct space groups.
What elements does CaSn2O5 contain?
CaSn2O5 contains Ca, O, and Sn (3 elements).
Where does the data for CaSn2O5 come from?
CaSn2O5 data is cross-referenced from materials_project, jarvis, mpaloe.
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).
- jarvis — Data from JARVIS (NIST). Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020).
- mpaloe — Data from mpaloe.
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