CrSn2
CrSn2 is a metallic intermetallic compound formed from chromium and tin that exhibits notable structural variety.
About CrSn2
CrSn2 is an intermetallic compound composed of chromium and tin. It exhibits a metallic electronic character, consistent with its elemental constituents, and is characterized by a significant degree of structural diversity as evidenced by numerous reported configurations across various databases. Due to its position relative to the thermodynamic hull, this material is considered metastable. Its study provides valuable insight into the complex phase space of chromium-tin systems and the factors governing the formation of transition metal stannides.
Key Properties
Cross-validated computational properties for CrSn2, aggregated across 6 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 CrSn2. 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 CrSn2, 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. |
|---|---|---|---|---|---|
| — | — | 0.00 | 0.0863 | 0.086 | — |
| — | — | 0.00 | 0.0863 | 0.086 | — |
| — | — | 0.00 | 0.1293 | 0.129 | — |
| Fddd (No. 70) | orthorhombic | 0.00 | 0.1485 | -21.373 | 8.22 |
| Fddd (No. 70) | orthorhombic | 0.00 | 0.1820 | 0.182 | — |
| — | — | 0.00 | 0.3772 | 0.377 | — |
| — | — | 0.00 | 0.6568 | 0.657 | — |
| — | — | 0.00 | 1.1991 | 1.199 | — |
| C2/m (No. 12) | monoclinic | — | — | — | 6.80 |
| Cm (No. 8) | monoclinic | — | — | — | 5.60 |
| C2/m (No. 12) | monoclinic | — | — | — | 5.24 |
| Cm (No. 8) | monoclinic | — | — | — | 5.47 |
Applications
Where CrSn2 is used.
Frequently Asked Questions
Common questions about CrSn2, answered from cross-validated data.
What is CrSn2?
CrSn2 is a metallic intermetallic compound formed from chromium and tin that exhibits notable structural variety.
What is CrSn2 used for?
What is the band gap of CrSn2?
Is CrSn2 a metal, semiconductor, or insulator?
Is CrSn2 thermodynamically stable?
What is the crystal structure of CrSn2?
What is the density of CrSn2?
How many polymorphs of CrSn2 are known?
What elements does CrSn2 contain?
Where does the data for CrSn2 come from?
How It Compares
As a specific intermetallic phase, CrSn2 serves as a case study for the structural complexity inherent in binary transition metal-tin systems. While it lacks direct structural siblings in this context, it represents a unique point in the phase diagram where chromium and tin interact to form a distinct metallic lattice, highlighting the challenges of synthesizing and stabilizing such compounds compared to more robust binary intermetallics.
Data sources & attribution
- oqmd — Data from the OQMD (oqmd.org). Cite: Saal et al., JOM 65, 1501 (2013); Kirklin et al., npj Comp. Mater. 1, 15010 (2015). (CC-BY-4.0)
- materials_project — Data from the Materials Project (materialsproject.org). Cite: Jain et al., APL Materials 1, 011002 (2013). (CC-BY-4.0)
- jarvis — Data from JARVIS (jarvis.nist.gov), NIST. Cite: Choudhary et al., npj Comp. Mater. 6, 173 (2020). (LicenseRef-US-Gov-PD)
- mpaloe — Data from MP-ALOE. Cite: Kuner et al., npj Comput. Mater. (2025), doi:10.1038/s41524-025-01834-9.
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