CaSn
CaSn is a stable metallic compound formed from calcium and tin that is frequently studied for its structural characteristics.
About CaSn
CaSn is a metallic intermetallic compound composed of calcium and tin. As a thermodynamically stable phase located on the convex hull, it represents a robust structural configuration within its chemical system.
Its metallic nature suggests significant potential for applications requiring conductive properties. With a high degree of structural diversity reported across multiple databases, it serves as a key subject for understanding binary intermetallic phase formation.
Key Properties
Cross-validated computational properties for CaSn, 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.
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.
Cross-Source DFT Agreement
How well independent DFT databases agree on the thermodynamics of CaSn. Tight agreement means computed properties can be trusted without re-running calculations.
Agreement ScoreA normalized confidence score summarizing how closely independent DFT databases agree. Higher scores mean tighter cross-source agreement.
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
Reported Structures
Lowest-energy structures reported for CaSn, 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 | 0.00 | 0.0000 | -3.656 | 4.33 |
| C2/m (No. 12) | Monoclinic | — | — | — | 4.06 |
| P1 (No. 1) | Triclinic | — | — | — | 3.49 |
| P-1 (No. 2) | Triclinic | — | — | — | 2.45 |
| C2/m (No. 12) | Monoclinic | — | — | — | 2.88 |
| C2/m (No. 12) | Monoclinic | — | — | — | 2.92 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 4.29 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 4.36 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 4.35 |
| P1 (No. 1) | Triclinic | — | — | — | 2.38 |
| P1 (No. 1) | Triclinic | — | — | — | 2.68 |
| P1 (No. 1) | Triclinic | — | — | — | 3.51 |
Applications
Where CaSn is used.
Frequently Asked Questions
Common questions about CaSn, answered from cross-validated data.
What is CaSn?
CaSn is a stable metallic compound formed from calcium and tin that is frequently studied for its structural characteristics.
What is CaSn used for?
What is the band gap of CaSn?
Is CaSn a metal, semiconductor, or insulator?
Is CaSn thermodynamically stable?
What is the crystal structure of CaSn?
What is the density of CaSn?
How many polymorphs of CaSn are known?
What elements does CaSn contain?
Where does the data for CaSn come from?
How It Compares
As a distinct binary intermetallic, CaSn serves as a fundamental reference point for calcium-tin systems. Its position on the convex hull highlights its structural reliability compared to metastable phases that may appear in similar intermetallic families.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- mpaloe — Data from mpaloe.
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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