CrSn2
Chromium distannide is a metallic intermetallic compound composed of chromium and tin. It is primarily studied for its structural properties and potential behavior in specialized metallurgical applications.
CrSn
Overview
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.
Metallic / not reported
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.
0.150 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.
Above hull
4 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
39
6 databases, 13 space groups
Validation
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.
1.00 / 1.00
Trust tier: high
Hull SpreadDifference between the highest and lowest energy-above-hull values reported by comparable sources. Smaller spread means less thermodynamic disagreement.
0.000 eV
EAH spread across sources
Sources ComparedNumber and names of computational sources with comparable entries for this formula.
3
jarvis, materials_project, nomad
Space Group ConsensusWhether independent sources predict the same crystal symmetry for the lowest-energy structure.
All match
Crystallography
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. |
|---|---|---|---|---|---|
| Fddd (No. 70) | orthorhombic | 0.00 | 0.1495 | -21.372 | 8.22 |
| No. 0 | unknown | — | — | — | 0.51 |
| Cm (No. 8) | Monoclinic | — | — | — | 5.60 |
| Cm (No. 8) | Monoclinic | — | — | — | 5.52 |
| P21/c (No. 14) | Monoclinic | — | — | — | 5.21 |
| P21/c (No. 14) | Monoclinic | — | — | — | 5.71 |
| P21/c (No. 14) | Monoclinic | — | — | — | 6.18 |
| Cmcm (No. 63) | Orthorhombic | — | — | — | 6.55 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 5.84 |
| P63/mmc (No. 194) | Hexagonal | — | — | — | 5.86 |
| No. 0 | unknown | — | — | — | 0.51 |
| C2/m (No. 12) | Monoclinic | — | — | — | 8.75 |
Uses
Applications
Where CrSn2 is used.
Materials science researchAlloy development
Reference
Frequently Asked Questions
Common questions about CrSn2, answered from cross-validated data.
What is CrSn2?
Chromium distannide is a metallic intermetallic compound composed of chromium and tin. It is primarily studied for its structural properties and potential behavior in specialized metallurgical applications.
More questions
What is CrSn2 used for?
CrSn2 is used in materials science research and alloy development.
What is the band gap of CrSn2?
CrSn2 is computed to be metallic (no band gap) in the reported DFT structures.
Is CrSn2 a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is CrSn2 thermodynamically stable?
CrSn2 has a lowest energy above hull of 0.150 eV/atom (above hull).
What is the crystal structure of CrSn2?
The lowest-energy reported polymorph of CrSn2 is orthorhombic symmetry, space group Fddd (No. 70).
What is the density of CrSn2?
The computed density of the ground-state structure of CrSn2 is 8.22 g/cm³.
How many polymorphs of CrSn2 are known?
39 structures of CrSn2 are reported across 6 databases, spanning 13 distinct space groups.
What elements does CrSn2 contain?
CrSn2 contains Cr and Sn (2 elements).
Where does the data for CrSn2 come from?
CrSn2 data is cross-referenced from materials_project, cod, mpaloe, omat24.
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).
- mpaloe — Data from mpaloe.
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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