Co2MnSi
Co2MnSi has a DFT band gap of Metallic / not reported across 4 reported structures in 2 space groups; its lowest-energy polymorph is cubic (Fm-3m (No. 225)). Cross-validated across 2 computational databases.
At a glance
Key Properties
Cross-validated computational properties for Co2MnSi, aggregated across 2 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.
0.000 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.
On hull (stable)
1 DFT source
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
4
2 databases, 2 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Co2MnSi, 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. |
|---|---|---|---|---|---|
| Fm-3m (No. 225) | cubic | 0.00 | 0.0000 | -7.638 | 7.66 |
| P4/mmm (No. 123) | tetragonal | 0.00 | 0.1138 | -7.524 | 7.37 |
| — | — | — | — | — | 7.35 |
| — | — | — | — | — | 7.43 |
Reference
Frequently Asked Questions
Common questions about Co2MnSi, answered from cross-validated data.
What is the band gap of Co2MnSi?
Co2MnSi is computed to be metallic (no band gap) in the reported DFT structures.
More questions
Is Co2MnSi a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is Co2MnSi thermodynamically stable?
Yes — Co2MnSi sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Co2MnSi?
The lowest-energy reported polymorph of Co2MnSi is cubic symmetry, space group Fm-3m (No. 225).
What is the density of Co2MnSi?
The computed density of the ground-state structure of Co2MnSi is 7.66 g/cm³.
How many polymorphs of Co2MnSi are known?
4 structures of Co2MnSi are reported across 2 databases, spanning 2 distinct space groups.
What elements does Co2MnSi contain?
Co2MnSi contains Co, Mn, and Si (3 elements).
Where does the data for Co2MnSi come from?
Co2MnSi data is cross-referenced from materials_project, omat24.
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Related Compounds
Other Heusler Alloys in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
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