Ca2Sn
Calcium stannide is an intermetallic compound composed of calcium and tin. It is primarily utilized in materials science research as a precursor for the synthesis of complex ternary compounds and as a subject of study for its unique electronic and structural properties.
Key Properties
Cross-validated computational properties for Ca2Sn, 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.
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.
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.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Reported Structures
Lowest-energy structures reported for Ca2Sn, 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 | 0.06 | 0.0000 | -3.321 | 3.43 |
| Fm-3m (No. 225) | cubic | 0.44 | 0.0110 | -3.310 | 3.06 |
| Cm (No. 8) | Monoclinic | — | — | — | 2.67 |
| Pnma (No. 62) | — | — | — | — | — |
| P3m1 (No. 156) | Trigonal | — | — | — | 2.54 |
| Fm-3m (No. 225) | Cubic | — | — | — | 3.04 |
| Fm-3m (No. 225) | Cubic | — | — | — | 3.06 |
| P3m1 (No. 156) | Trigonal | — | — | — | 2.52 |
| Pm (No. 6) | Monoclinic | — | — | — | 2.78 |
| Fm-3m (No. 225) | Cubic | — | — | — | 3.07 |
| C2/m (No. 12) | Monoclinic | — | — | — | 3.12 |
| C2/m (No. 12) | Monoclinic | — | — | — | 1.98 |
Applications
Where Ca2Sn is used.
Frequently Asked Questions
Common questions about Ca2Sn, answered from cross-validated data.
What is Ca2Sn?
Calcium stannide is an intermetallic compound composed of calcium and tin. It is primarily utilized in materials science research as a precursor for the synthesis of complex ternary compounds and as a subject of study for its unique electronic and structural properties.
What is Ca2Sn used for?
What is the band gap of Ca2Sn?
Is Ca2Sn a metal, semiconductor, or insulator?
Is Ca2Sn thermodynamically stable?
What is the crystal structure of Ca2Sn?
What is the density of Ca2Sn?
How many polymorphs of Ca2Sn are known?
What elements does Ca2Sn contain?
Where does the data for Ca2Sn come from?
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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