Si4V2
Si4V2 has a DFT band gap of Metallic / not reported across 24 reported structures in 13 space groups; its lowest-energy polymorph is hexagonal (P6222 (No. 180)). Cross-validated across 3 computational databases.
Overview
Key Properties
Cross-validated computational properties for Si4V2, 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.
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)
2 DFT sources
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
24
3 databases, 13 space groups
Crystallography
Reported Structures
Lowest-energy structures reported for Si4V2, 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. |
|---|---|---|---|---|---|
| P6222 (No. 180) | hexagonal | 0.00 | 0.0000 | -11.000 | 4.74 |
| P6422 (No. 181) | hexagonal | 0.00 | 0.0000 | -11.000 | 4.74 |
| P6/mmm (No. 191) | — | — | — | — | — |
| I4/mcm (No. 140) | — | — | — | — | — |
| Cmcm (No. 63) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| Cmcm (No. 63) | — | — | — | — | — |
| Immm (No. 71) | — | — | — | — | — |
| C2/m (No. 12) | — | — | — | — | — |
| I4/mmm (No. 139) | — | — | — | — | — |
| Fd-3m (No. 227) | — | — | — | — | — |
| Cmcm (No. 63) | — | — | — | — | — |
Reference
Frequently Asked Questions
Common questions about Si4V2, answered from cross-validated data.
What is the band gap of Si4V2?
Si4V2 is computed to be metallic (no band gap) in the reported DFT structures.
More questions
Is Si4V2 a metal, semiconductor, or insulator?
Computed band structures report no gap, so it is metallic.
Is Si4V2 thermodynamically stable?
Yes — Si4V2 sits on the convex hull (energy above hull 0 eV/atom), i.e. on hull (stable).
What is the crystal structure of Si4V2?
The lowest-energy reported polymorph of Si4V2 is hexagonal symmetry, space group P6222 (No. 180).
What is the density of Si4V2?
The computed density of the ground-state structure of Si4V2 is 4.74 g/cm³.
How many polymorphs of Si4V2 are known?
24 structures of Si4V2 are reported across 3 databases, spanning 13 distinct space groups.
What elements does Si4V2 contain?
Si4V2 contains Si and V (2 elements).
Where does the data for Si4V2 come from?
Si4V2 data is cross-referenced from materials_project, aflow, omat24.
Explore
Related Compounds
Other Silicon Anode Materials in the database.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
Analyze Si4V2 in the Lattice Graph platform
Polymorph comparison, confidence scoring, supply-chain risk, and patent monitoring — across 53 integrated data sources.
Explore the Platform →